8-Hydroxyefavirenz

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H9ClF3NO3
Molecular Weight	331.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2NC(=O)O[C@@](C#CC3CC3)(C2=CC(Cl)=C1)C(F)(F)F

InChI

InChIKey=OOVOMPCQLMFEDT-ZDUSSCGKSA-N

InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H9ClF3NO3
Molecular Weight	331.674
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Synthesis and biological activities of potential metabolites of the non-nucleoside reverse transcriptase inhibitor efavirenz.	2001-03-12	11266155

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:41:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:18 GMT 2025`
Record UNII	P8S49CKH6L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-8-HYDROXY-4-(TRIFLUOROMETHYL)-1H-3,1-BENZOXAZIN-2-ONE

Preferred Name

English

8-Hydroxyefavirenz

Common Name

English

2H-3,1-BENZOXAZIN-2-ONE, 6-CHLORO-4-(CYCLOPROPYLETHYNYL)-1,4-DIHYDRO-8-HYDROXY-4-(TRIFLUOROMETHYL)-, (4S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

487643

Created by admin on Mon Mar 31 22:41:18 GMT 2025 , Edited by admin on Mon Mar 31 22:41:18 GMT 2025

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CAS

205754-33-2

Created by admin on Mon Mar 31 22:41:18 GMT 2025 , Edited by admin on Mon Mar 31 22:41:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID50942769

Created by admin on Mon Mar 31 22:41:18 GMT 2025 , Edited by admin on Mon Mar 31 22:41:18 GMT 2025

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FDA UNII

P8S49CKH6L

Created by admin on Mon Mar 31 22:41:18 GMT 2025 , Edited by admin on Mon Mar 31 22:41:18 GMT 2025

PRIMARY

Related Record Type Details


					JE6H2O27P8

EFAVIRENZ

PARENT -> METABOLITE ACTIVE