Anidulafungin Impurity 1 CAS#: 1029890-89-8

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity 1
分子结构
CAS编号 1029890-89-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (2R,9S,11R,12R,14aS,15S,16S,20S,25aS)-9-Amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone hydrochloride
分子式 C34H51N7O15 : HCl
分子量 797.8 : 36.5
InChI
InChI Key
Canonical SMILES O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)C)N4[C@@](C(N[C@@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)N)O)O)=O)([H])[C@@H](O)[C@@H](C)C4.Cl

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 79411-15-7 (free base)
Use Pattern
Anidulafungin Impurity 1 is chemically (2R,9S,11R,12R,14aS,15S,16S,20S,25aS)-9-Amino-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,22,25(9H,25aH)-hexaone hydrochloride. Anidulafungin Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Echinocandin B CAS#: 54651-05-7

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Echinocandin B
分子结构
CAS编号 54651-05-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (9Z,12Z)-N-((2R,9S,11R,12R,14aS,15S,16S,20S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)octadeca-9,12-dienamide
分子式 C52H81N7O16
分子量 1060.3
InChI
InChI Key
Canonical SMILES O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)C)N4[C@@](C(N[C@@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)NC(CCCCCCC/C=CC/C=CCCCCC)=O)O)O)=O)([H])[C@@H](O)[C@@H](C)C4

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Echinocandin B is chemically (9Z,12Z)-N-((2R,9S,11R,12R,14aS,15S,16S,20S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)octadeca-9,12-dienamide. Echinocandin B is supplied with detailed characterization data compliant with regulatory guideline. Echinocandin B can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Impurity F CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity F
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 4-((1R,2S)-1,2-Dihydroxy-2-((2R,9R,11R,12R,14aS,15S,16S)-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-(4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamido)tetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)ethyl)phenyl 4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxylate
分子式 C82H95N7O19
分子量 1482.7
InChI
InChI Key
Canonical SMILES O=C(NC([C@H](O)[C@@H](C1=CC=C(OC(C2=CC=C(C3=CC=C(C4=CC=C(OCCCCC)C=C4)C=C3)C=C2)=O)C=C1)O)C(NC(C(C)O)C(N5[C@H](C(N[C@H](O)[C@H](O)C[C@@H](NC(C6=CC=C(C7=CC=C(C8=CC=C(OCCCCC)C=C8)C=C7)C=C6)=O)C9=O)=O)[C@@H](O)[C@@H](C)C5)=O)=O)C%10C[C@@H](O)CN%10C(C(N9)C(C)O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin Impurity F is chemically 4-((1R,2S)-1,2-Dihydroxy-2-((2R,9R,11R,12R,14aS,15S,16S)-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-(4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamido)tetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)ethyl)phenyl 4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxylate. Anidulafungin Impurity F is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity F can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Impurity E CAS#: 2099166-85-3

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity E
分子结构
CAS编号 2099166-85-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-((2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide
分子式 C57H71N7O17
分子量 1126.2
InChI
InChI Key
Canonical SMILES O=C(N[C@@H]([C@H](O)[C@H](C1=CC=C(O)C=C1)O)C(N[C@@H]([C@@H](C)O)C(N2[C@H](C(N[C@H](O)[C@H](O)C[C@H](NC(C3=CC=C(C4=CC=C(C5=CC=C(OCCCCC)C=C5)C=C4)C=C3)=O)C6=O)=O)[C@@H](O)CC2)=O)=O)[C@@H]7C[C@@H](O)CN7C([C@@H](N6)[C@@H](C)O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin Impurity E is chemically N-((2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide. Anidulafungin Impurity E is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity E can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Impurity A CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity A
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4S)-N-((2S,3R)-1-((2S,4R)-2-(((2S,3S,4S)-1-(((2S,3R)-1-((2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)amino)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)carbamoyl)-4-hydroxypyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)-4,5-dihydroxy-1-(4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carbonyl)pyrrolidine-2-carboxamide
分子式 C58H73N7O17
分子量 1140.3
InChI
InChI Key
Canonical SMILES O=C(N[C@@H]([C@H](O)[C@H](C1=CC=C(O)C=C1)O)C(N[C@@H]([C@@H](C)O)C(N2[C@H](C(N)=O)[C@@H](O)[C@@H](C)C2)=O)=O)[C@@H]3C[C@@H](O)CN3C([C@@H](NC(C4([H])N(C(C5=CC=C(C6=CC=C(C7=CC=C(OCCCCC)C=C7)C=C6)C=C5)=O)C(O)[C@](O)([H])C4)=O)[C@@H](C)O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin Impurity A is chemically (4S)-N-((2S,3R)-1-((2S,4R)-2-(((2S,3S,4S)-1-(((2S,3R)-1-((2S,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)amino)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)carbamoyl)-4-hydroxypyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)-4,5-dihydroxy-1-(4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carbonyl)pyrrolidine-2-carboxamide. Anidulafungin Impurity A is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity A can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Impurity D CAS#: 185425-47-2

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity D
分子结构
CAS编号 185425-47-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6,20-bis((R)-1-hydroxyethyl)-12-methoxy-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide
分子式 C59H75N7O17
分子量 1154.3
InChI
InChI Key
Canonical SMILES O=C(N[C@@H]([C@H](O)[C@H](C1=CC=C(O)C=C1)O)C(N[C@@H]([C@@H](C)O)C(N2[C@H](C(N[C@H](OC)[C@H](O)C[C@H](NC(C3=CC=C(C4=CC=C(C5=CC=C(OCCCCC)C=C5)C=C4)C=C3)=O)C6=O)=O)[C@@H](O)[C@@H](C)C2)=O)=O)[C@@H]7C[C@@H](O)CN7C([C@@H](N6)[C@@H](C)O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin Impurity D is chemically N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6,20-bis((R)-1-hydroxyethyl)-12-methoxy-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide. Anidulafungin Impurity D is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity D can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Impurity B CAS#: 2099166-86-4

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin Impurity B
分子结构
CAS编号 2099166-86-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide
分子式 C57H71N7O17
分子量 1126.2
InChI
InChI Key
Canonical SMILES O=C(N[C@@H]([C@H](O)[C@H](C1=CC=C(O)C=C1)O)C(N[C@@H](CO)C(N2[C@H](C(N[C@H](O)[C@H](O)C[C@H](NC(C3=CC=C(C4=CC=C(C5=CC=C(OCCCCC)C=C5)C=C4)C=C3)=O)C6=O)=O)[C@@H](O)[C@@H](C)C2)=O)=O)[C@@H]7C[C@@H](O)CN7C([C@@H](N6)[C@@H](C)O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin Impurity B is chemically N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-4”-(pentyloxy)-[1,1′:4′,1”-terphenyl]-4-carboxamide. Anidulafungin Impurity B is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin Impurity B can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin CAS#: 166663-25-8

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Anidulafungin
分子结构
CAS编号 166663-25-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 1-[(4R,5R)-4,5-Dihydroxy-N2-[[4”-(pentyloxy)[1,1′:4′,1”-terphenyl]-4-yl]carbonyl]-L-ornithine]-echinocandin B
分子式 C58H73N7O17
分子量 1140.3
InChI
InChI Key
Canonical SMILES CCCCCOC(C=C1)=CC=C1C(C=C2)=CC=C2C3=CC=C(C(N[C@@H]4C(N[C@@](C(N5[C@@](C(N[C@]([C@H](O)[C@@H](O)C6=CC=C(O)C=C6)([H])C(N[C@]([C@H](O)C)([H])C(N7[C@@](C(N[C@H](O)[C@H](O)C4)=O)([H])[C@@H](O)[C@@H](C)C7)=O)=O)=O)([H])C[C@@H](O)C5)=O)([H])[C@H](O)C)=O)=O)C=C3

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Anidulafungin is chemically 1-[(4R,5R)-4,5-Dihydroxy-N2-[[4”-(pentyloxy)[1,1′:4′,1”-terphenyl]-4-yl]carbonyl]-L-ornithine]-echinocandin B. Anidulafungin is supplied with detailed characterization data compliant with regulatory guideline. Anidulafungin can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Anidulafungin. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Anidulafungin Side Chain Acid Methyl Ester CAS#: 158938-08-01

By great_watson-int,
IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Anidulafungin Side Chain Acid Methyl Ester
分子结构
CAS编号 158938-08-01
EINECS Number
MDL Number
Beilstein Registry Number
别名
分子式C25H26O3
分子量374.46
InChI
InChI Key
Canonical SMILES

Physical Data

Appearance
Solubility
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting PointNo data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

Use Pattern
Anidulafungin Side Chain Acid Methyl Ester is an impurity of API Anidulafungin.