6-CHLORO-4-(PENT-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-

Details

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

SHOW SMILES / InChI

Structure of 6-CHLORO-4-(PENT-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-

Structure Search

SMILES

CCCC#C[C@@]1(OC(=O)NC2=CC=C(Cl)C=C12)C(F)(F)F

InChI

InChIKey=RNMIPUHUAVCLHQ-ZDUSSCGKSA-N

InChI=1S/C14H11ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h5-6,8H,2-3H2,1H3,(H,19,20)/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	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:02:21 GMT 2025` Edited by `admin` on `Mon Mar 31 21:02:21 GMT 2025`
Record UNII	KY62G8V4N0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SP-234

Preferred Name

English

6-CHLORO-4-(PENT-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE, (S)-

Systematic Name

English

(S)-6-CHLORO-4-(PENT-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE

Systematic Name

English

EFAVIRENZ PENT-1-YNE

Common Name

English

EFAVIRENZ IMPURITY, EFAVIRENZ PENTYNE ANALOG-

Common Name

English

EFAVIRENZ IMPURITY C

Common Name

English

EFAVIRENZ PENTYNE ANALOG [USP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

205755-86-8

Created by admin on Mon Mar 31 21:02:21 GMT 2025 , Edited by admin on Mon Mar 31 21:02:21 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

71587631

Created by admin on Mon Mar 31 21:02:21 GMT 2025 , Edited by admin on Mon Mar 31 21:02:21 GMT 2025

PRIMARY

FDA UNII

KY62G8V4N0

Created by admin on Mon Mar 31 21:02:21 GMT 2025 , Edited by admin on Mon Mar 31 21:02:21 GMT 2025

PRIMARY

Related Record Type Details


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EFAVIRENZ

PARENT -> IMPURITY