DIHYDRO EFAVIRENZ, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H11ClF3NO2
Molecular Weight	317.691
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC(F)(F)[C@]1(OC(=O)NC2=CC=C(Cl)C=C12)\C=C\C3CC3

InChI

InChIKey=TWWHVRKXRMMRPN-GFUIURDCSA-N

InChI=1S/C14H11ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-8H,1-2H2,(H,19,20)/b6-5+/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H11ClF3NO2
Molecular Weight	317.691
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:38:33 UTC 2023` Edited by `admin` on `Sat Dec 16 01:38:33 UTC 2023`
Record UNII	RT81GN1Z40
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHYDRO EFAVIRENZ, (E)-

Common Name

English

EFAVIRENZ RELATED COMPOUND B [USP-RS]

Common Name

English

SR-695

Code

English

EFAVIRENZ ETHENE ANALOG

Common Name

English

EFAVIRENZ RELATED COMPOUND B [USP IMPURITY]

Common Name

English

(S,E)-6-CHLORO-4-(2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE

Systematic Name

English

2H-3,1-BENZOXAZIN-2-ONE, 6-CHLORO-4-((1E)-2-CYCLOPROPYLETHENYL)-1,4-DIHYDRO-4-(TRIFLUOROMETHYL)-, (4S)-

Systematic Name

English

EFAVIRENZ IMPURITY B [WHO-IP]

Common Name

English

EFAVIRENZ RELATED COMPOUND B

Common Name

English

SR 695

Code

English

Code System Code Type Description

FDA UNII

RT81GN1Z40

Created by admin on Sat Dec 16 01:38:33 UTC 2023 , Edited by admin on Sat Dec 16 01:38:33 UTC 2023

PRIMARY

CAS

440124-96-9

Created by admin on Sat Dec 16 01:38:33 UTC 2023 , Edited by admin on Sat Dec 16 01:38:33 UTC 2023

PRIMARY

PUBCHEM

71587736

Created by admin on Sat Dec 16 01:38:33 UTC 2023 , Edited by admin on Sat Dec 16 01:38:33 UTC 2023

PRIMARY

RS_ITEM_NUM

1234147

Created by admin on Sat Dec 16 01:38:33 UTC 2023 , Edited by admin on Sat Dec 16 01:38:33 UTC 2023

PRIMARY

Related Record Type Details


					JE6H2O27P8

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PARENT -> IMPURITY

Amount:


					JE6H2O27P8

EFAVIRENZ

PARENT -> IMPURITY

Amount:


					JE6H2O27P8

EFAVIRENZ

PARENT -> IMPURITY

Comments:

In the chromatogram obtained with solution (3) the peak due to impurity B is eluted at a relative retention of about 0.9 with reference to efavirenz (retention time about 20 minutes).The test is not valid unless the resolution between the peaks due to impurity B and efavirenz is at least 3.

Amount: