N-(4-METHOXYBENZYL)EFAVIRENZ

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H17ClF3NO3
Molecular Weight	435.823
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-METHOXYBENZYL)EFAVIRENZ

Structure Search

SMILES

COC1=CC=C(CN2C(=O)O[C@@](C#CC3CC3)(C4=CC(Cl)=CC=C24)C(F)(F)F)C=C1

InChI

InChIKey=BKYROQXKHLSLOS-NRFANRHFSA-N

InChI=1S/C22H17ClF3NO3/c1-29-17-7-4-15(5-8-17)13-27-19-9-6-16(23)12-18(19)21(22(24,25)26,30-20(27)28)11-10-14-2-3-14/h4-9,12,14H,2-3,13H2,1H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H17ClF3NO3
Molecular Weight	435.823
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:16:05 UTC 2023` Edited by `admin` on `Sat Dec 16 02:16:05 UTC 2023`
Record UNII	BB295U888K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(4-METHOXYBENZYL)EFAVIRENZ

Common Name

English

SE-563

Code

English

6-CHLORO-4-(CYCLOPROPYLETHYNYL)-1-(4-METHOXYBENZYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-

Systematic Name

English

EFAVIRENZ IMPURITY, N-BENZYLEFAVIRENZ-

Common Name

English

EFAVIRENZ IMPURITY D

Common Name

English

N-BENZYLEFAVIRENZ [USP IMPURITY]

Common Name

English

(S)-6-CHLORO-4-(CYCLOPROPYLETHYNYL)-1-(4-METHOXYBENZYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE

Systematic Name

English

(-)-N-(4-METHOXYBENZYL)EFAVIRENZ

Common Name

English

2H-3,1-BENZOXAZIN-2-ONE, 6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-1,4-DIHYDRO-1-((4-METHOXYPHENYL)METHYL)-4-(TRIFLUOROMETHYL)-, (4S)-

Systematic Name

English

Code System Code Type Description

CAS

174819-21-7

Created by admin on Sat Dec 16 02:16:05 UTC 2023 , Edited by admin on Sat Dec 16 02:16:05 UTC 2023

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PUBCHEM

11112909

Created by admin on Sat Dec 16 02:16:05 UTC 2023 , Edited by admin on Sat Dec 16 02:16:05 UTC 2023

PRIMARY

FDA UNII

BB295U888K

Created by admin on Sat Dec 16 02:16:05 UTC 2023 , Edited by admin on Sat Dec 16 02:16:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID00169904

Created by admin on Sat Dec 16 02:16:05 UTC 2023 , Edited by admin on Sat Dec 16 02:16:05 UTC 2023

PRIMARY

Related Record Type Details


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EFAVIRENZ

PARENT -> IMPURITY