Calcipotriol Monohydrate CAS#: 147657-22-5

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

Identification

英文名 Calcipotriol Monohydrate
分子结构
CAS编号 147657-22-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate
分子式 C27H40O3 : H2O
分子量 412.6 : 18.0
InChI
InChI Key
Canonical SMILES C[C@]([C@@]1([H])[C@H](C)/C=C/[C@H](C2CC2)O)(CCC/3)[C@](CC1)([H])C3=CC=C(C[C@@H](O)C[C@@H]4O)/C4=C.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 112965-21-6 (free base)
Use Pattern
Calcipotriol Monohydrate is chemically (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate. Calcipotriol Monohydrate is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol Monohydrate 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 Calcipotriol. 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.

Calcipotriol Impurity 1 CAS#: 2106840-41-7

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

Identification

英文名 Calcipotriol Impurity 1
分子结构
CAS编号 2106840-41-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3aR,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-one
分子式 C18H28O2
分子量 276.4
InChI
InChI Key
Canonical SMILES O=C1[C@]2([H])CC[C@H]([C@@H](/C=C/[C@H](C3CC3)O)C)[C@@]2(C)CCC1

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
Calcipotriol Impurity 1 is chemically (1R,3aR,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-one. Calcipotriol Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol 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 Calcipotriol. 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.

Calcipotriol D4 CAS#: N/A

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

Identification

英文名 Calcipotriol D4
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-(Cyclopropyl-2,2,3,3-d4)-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
分子式 C27H36D4O3
分子量 416.6
InChI
InChI Key
Canonical SMILES C[C@]([C@@]1([H])[C@H](C)/C=C/[C@H](C2C([2H])([2H])C2([2H])[2H])O)(CCC/3)[C@](CC1)([H])C3=CC=C(C[C@@H](O)C[C@@H]4O)/C4=C

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
Calcipotriol D4 is chemically (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-(Cyclopropyl-2,2,3,3-d4)-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol. Calcipotriol D4 is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol D4 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 Calcipotriol. 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.

Calcipotriol EP Impurity I CAS#: N/A

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

Identification

英文名 Calcipotriol EP Impurity I
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6S,7R,8R,22E,24S)-24-cyclopropyl-6,8:7,19-dicyclo-9,10-secochola-5(10),22-diene-1alpha,3beta,24-triol
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES O[C@](C1CC1)([H])/C=C/[C@](C)([H])[C@@]2([H])CC[C@@]([C@]2(C)CCC3)([H])[C@]43[C@]([C@]54[H])([H])CC6=C5C[C@](O)([H])C[C@]6([H])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
Calcipotriol EP Impurity I is chemically (6S,7R,8R,22E,24S)-24-cyclopropyl-6,8:7,19-dicyclo-9,10-secochola-5(10),22-diene-1alpha,3beta,24-triol. It is also known as Suprasterol of Calcipotriol. Calcipotriol EP Impurity I is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol EP Impurity I 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 Calcipotriol. 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.

Calcipotriol Beta Isomer CAS#: 934338-44-0

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

Identification

英文名 Calcipotriol Beta Isomer
分子结构
CAS编号 934338-44-0
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES O[C@@H](C1CC1)/C=C/[C@@H](C)[C@@]2([H])CC[C@@]3([H])/C(CCC[C@@]32C)=C/C=C4C[C@@H](O)C[C@@H](O)C/4=C

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
Calcipotriol Beta Isomer is chemically (1R,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol. Calcipotriol Beta Isomer is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol Beta Isomer 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 Calcipotriol. 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.

Pre-Calcipotriol CAS#: 176302-02-6

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

Identification

英文名 Pre-Calcipotriol
分子结构
CAS编号 176302-02-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (1R,3S)-5-((Z)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-4-ene-1,3-diol
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES O[C@H]1C[C@H](O)C(C)=C(/C=CC2=CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)/C=C/[C@@H](O)C4CC4)C1

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
Pre-Calcipotriol is chemically (1R,3S)-5-((Z)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-4-ene-1,3-diol. Pre-Calcipotriol is supplied with detailed characterization data compliant with regulatory guideline. Pre-Calcipotriol 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 Calcipotriol. 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.

Calcipotriol EP Impurity G CAS#: N/A

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

Identification

英文名 Calcipotriol EP Impurity G
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 24,24′-oxybis[(5Z,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta-diol]
分子式 C54H78O5
分子量 807.2
InChI
InChI Key
Canonical SMILES O[C@@](C/1=C)([H])C[C@@](O)([H])CC1=CC=C2[C@@](CC[C@]3([H])[C@@](C)([H])/C=C/[C@@](C4CC4)([H])O[C@](C5CC5)([H])/C=C/[C@](C)([H])[C@]6([H])C[C@](CCC/C7=CC=C8C[C@](O)([H])C[C@]([H])(O)C8=C)(C)[C@@]7([H])C6)([H])[C@]3(C)CCC2

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
Calcipotriol EP Impurity G is chemically 24,24′-oxybis[(5Z,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta-diol]. Calcipotriol EP Impurity G is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol EP Impurity G 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 Calcipotriol. 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.

Calcipotriol CAS#: 112965-21-6

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

Identification

英文名 Calcipotriol
分子结构
CAS编号 112965-21-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3b,24-triol
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES C[C@]([C@@]1([H])[C@H](C)/C=C/[C@H](C2CC2)O)(CCC/3)[C@](CC1)([H])C3=CC=C(C[C@@H](O)C[C@@H]4O)/C4=C

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 147657-22-5 (monohydrate)
Use Pattern
Calcipotriol is chemically (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3b,24-triol. It is also known as Calcipotriene (USP). Calcipotriol is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol 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 Calcipotriol. 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.

Calcipotriol EP Impurity C CAS#: 113082-99-8

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

Identification

英文名 Calcipotriol EP Impurity C
分子结构
CAS编号 113082-99-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3b,24-triol ((5E)-calcipotriol)
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES C[C@H](/C=C/[C@H](C1CC1)O)[C@H]([C@]2(CCC/3)C)CC[C@@]2([H])C3=CC=C4C[C@@H](O)C[C@H](O)C/4=C

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
Calcipotriol EP Impurity C is chemically (5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3b,24-triol ((5E)-calcipotriol). It is also known as Calcipotriene USP Related Compound C ; (5E)-Calcipotriol ; (5E)-Calcipotriene. Calcipotriol EP Impurity C is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol EP Impurity C 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 Calcipotriol. 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.

Calcipotriol EP Impurity D CAS#: 112827-99-3

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

Identification

英文名 Calcipotriol EP Impurity D
分子结构
CAS编号 112827-99-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (5Z,7E,22E,24R)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
分子式 C27H40O3
分子量 412.6
InChI
InChI Key
Canonical SMILES C[C@H](/C=C/[C@@H](C1CC1)O)[C@H]([C@]2(CCC/3)C)CC[C@@]2([H])C3=CC=C4C[C@@H](O)C[C@H](O)C4=C

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
Calcipotriol EP Impurity D is chemically (5Z,7E,22E,24R)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol. It is also known as 24-epi-calcipotriol. Calcipotriol EP Impurity D is supplied with detailed characterization data compliant with regulatory guideline. Calcipotriol EP 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 Calcipotriol. 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.