Efavirenz • ChemWhat中文网 | 凯望化学与生物数据库

Efavirenz-13C6 CAS#: 1261394-62-0

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Efavirenz-13C6 is chemically (S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one-4a,5,6,7,8,8a-13C6. Efavirenz-13C6 is supplied with detailed characterization data compliant with regulatory guideline. Efavirenz-13C6 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 Efavirenz. 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.

Effavirenz Impurity 4 CAS#: 173676-60-3

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Effavirenz Impurity 4 is chemically (S)-2-(5-Chloro-2-((4-methoxybenzyl)amino)phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol. Effavirenz Impurity 4 is supplied with detailed characterization data compliant with regulatory guideline. Effavirenz Impurity 4 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 Efavirenz. 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.

Efavirenz Racemic CAS#: 177530-93-7

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Efavirenz Racemic is chemically 6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one. Efavirenz Racemic is supplied with detailed characterization data compliant with regulatory guideline. Efavirenz Racemic 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 Efavirenz. 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.

(S)-8,14-Dihydroxy Efavirenz CAS#: 252343-27-4

By great_watson-int, 7th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

(S)-8,14-Dihydroxy Efavirenz is chemically (S)-6-Chloro-8-hydroxy-4-((1-hydroxycyclopropyl)ethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one. (S)-8,14-Dihydroxy Efavirenz is supplied with detailed characterization data compliant with regulatory guideline. (S)-8,14-Dihydroxy Efavirenz 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 Efavirenz. 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.

Effavirenz Impurity 5 CAS#: 221177-56-6

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Effavirenz Impurity 5 is chemically 2-(5-Chloro-2-((4-methoxybenzyl)amino)phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol. Effavirenz Impurity 5 is supplied with detailed characterization data compliant with regulatory guideline. Effavirenz Impurity 5 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 Efavirenz. 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.

Effavirenz Impurity 3 CAS#: 209414-26-6

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Effavirenz Impurity 3 is chemically (4S)-6-Chloro-4-(cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazine. Effavirenz Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Effavirenz Impurity 3 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 Efavirenz. 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.

Effavirenz Impurity 2 CAS#: 154598-53-5

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Effavirenz Impurity 2 is chemically 4-Chloro-2-trifluoroacetylaniline. Effavirenz Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Effavirenz Impurity 2 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 Efavirenz. 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.

8-Hydroxy-Efavirenz D4 CAS#: 1217771-47-5

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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	205754-33-2 (Unlabeled)

Use Pattern

8-Hydroxy-Efavirenz D4 is chemically (S)-6-Chloro-4-((cyclopropyl-2,2,3,3-d4)ethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one. 8-Hydroxy-Efavirenz D4 is supplied with detailed characterization data compliant with regulatory guideline. 8-Hydroxy-Efavirenz 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 Efavirenz. 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.

7-Hydroxy-Efavirenz D4 CAS#: N/A

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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	205754-50-3 (Unlabeled)

Use Pattern

7-Hydroxy-Efavirenz D4 is chemically (S)-6-Chloro-4-((cyclopropyl-2,2,3,3-d4)ethynyl)-7-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one. 7-Hydroxy-Efavirenz D4 is supplied with detailed characterization data compliant with regulatory guideline. 7-Hydroxy-Efavirenz 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 Efavirenz. 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.

Efavirenz Benzoylaminoalcohol Impurity CAS#: 1189491-03-9

By great_watson-int, 6th July 2024

Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

Identification

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

Efavirenz Benzoylaminoalcohol Impurity is chemically N-[4-Chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]-4-methoxy-Benzamide. Efavirenz Benzoylaminoalcohol Impurity is supplied with detailed characterization data compliant with regulatory guideline. Efavirenz Benzoylaminoalcohol Impurity 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 Efavirenz. 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.

英文名	Efavirenz-13C6
分子结构
CAS编号	1261394-62-0
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one-4a,5,6,7,8,8a-13C6
分子式	C813C6H9ClF3NO2
分子量	321.6
InChI
InChI Key
Canonical SMILES	FC(F)(F)[C@]([13C]1=[13CH][13C](Cl)=[13CH][13CH]=[13C]1NC2=O)(O2)C#CC3CC3

英文名	Effavirenz Impurity 4
分子结构
CAS编号	173676-60-3
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-2-(5-Chloro-2-((4-methoxybenzyl)amino)phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
分子式	C21H19ClF3NO2
分子量	409.8
InChI
InChI Key
Canonical SMILES	O[C@](C(F)(F)F)(C(C=C(Cl)C=C1)=C1NCC2=CC=C(OC)C=C2)C#CC3CC3

英文名	Efavirenz Racemic
分子结构
CAS编号	177530-93-7
EINECS Number
MDL Number
Beilstein Registry Number
别名	6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
分子式	C14H9ClF3NO2
分子量	315.7
InChI
InChI Key
Canonical SMILES	FC(F)(F)C(C1=CC(Cl)=CC=C1NC2=O)(O2)C#CC3CC3

英文名	(S)-8,14-Dihydroxy Efavirenz
分子结构
CAS编号	252343-27-4
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-6-Chloro-8-hydroxy-4-((1-hydroxycyclopropyl)ethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
分子式	C14H9ClF3NO4
分子量	347.7
InChI
InChI Key
Canonical SMILES	OC1(CC1)C#C[C@@](C2=CC(Cl)=CC(O)=C2NC3=O)(O3)C(F)(F)F

英文名	Effavirenz Impurity 5
分子结构
CAS编号	221177-56-6
EINECS Number
MDL Number
Beilstein Registry Number
别名	2-(5-Chloro-2-((4-methoxybenzyl)amino)phenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
分子式	C21H19ClF3NO2
分子量	409.8
InChI
InChI Key
Canonical SMILES	ClC1=CC=C(NCC2=CC=C(OC)C=C2)C(C(C(F)(F)F)(O)C#CC3CC3)=C1

英文名	Effavirenz Impurity 3
分子结构
CAS编号	209414-26-6
EINECS Number
MDL Number
Beilstein Registry Number
别名	(4S)-6-Chloro-4-(cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazine
分子式	C21H17ClF3NO2
分子量	407.8
InChI
InChI Key
Canonical SMILES	FC(F)(F)[C@@]1(C2=CC(Cl)=CC=C2NC(C3=CC=C(OC)C=C3)O1)C#CC4CC4

英文名	Effavirenz Impurity 2
分子结构
CAS编号	154598-53-5
EINECS Number
MDL Number
Beilstein Registry Number
别名	4-Chloro-2-trifluoroacetylaniline
分子式	C8H5ClF3NO
分子量	223.6
InChI
InChI Key
Canonical SMILES	O=C(C(C=C(Cl)C=C1)=C1N)C(F)(F)F

英文名	8-Hydroxy-Efavirenz D4
分子结构
CAS编号	1217771-47-5
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-6-Chloro-4-((cyclopropyl-2,2,3,3-d4)ethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
分子式	C14H5D4ClF3NO3
分子量	335.7
InChI
InChI Key
Canonical SMILES	FC(F)(F)[C@](C1=CC(Cl)=CC(O)=C1NC2=O)(O2)C#CC3C([2H])([2H])C3([2H])[2H]

英文名	7-Hydroxy-Efavirenz D4
分子结构
CAS编号	N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名	(S)-6-Chloro-4-((cyclopropyl-2,2,3,3-d4)ethynyl)-7-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
分子式	C14H5D4ClF3NO3
分子量	335.7
InChI
InChI Key
Canonical SMILES	FC(F)(F)[C@](C1=CC(Cl)=C(O)C=C1NC2=O)(O2)C#CC3C([2H])([2H])C3([2H])[2H]

英文名	Efavirenz Benzoylaminoalcohol Impurity
分子结构
CAS编号	1189491-03-9
EINECS Number
MDL Number
Beilstein Registry Number
别名	N-[4-Chloro-2-[3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propyn-1-yl]phenyl]-4-methoxy-Benzamide
分子式	C21H17ClF3NO3
分子量	423.8
InChI
InChI Key
Canonical SMILES	OC(C(F)(F)F)(C(C=C(Cl)C=C1)=C1NC(C2=CC=C(OC)C=C2)=O)C#CC3CC3