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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H9ClF3NO2
Molecular Weight	315.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=WHGASYVCIFMRON-ZDUSSCGKSA-N

InChI=1S/C14H9ClF3NO2/c1-8(2)5-6-13(14(16,17)18)10-7-9(15)3-4-11(10)19-12(20)21-13/h3-4,7H,1H2,2H3,(H,19,20)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H9ClF3NO2
Molecular Weight	315.675
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 `Fri Dec 15 15:34:36 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:36 GMT 2023`
Record UNII	F86H88Z9IG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

EFAVIRENZ 3-METHYLBUT-3-ENE-1-YNE

Common Name

English

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

Systematic Name

English

EFAVIRENZ IMPURITY, EFAVIRENZ PENTENEYNE-

Common Name

English

EFAVIRENZ PENTENEYNE

Common Name

English

Code System Code Type Description

FDA UNII

F86H88Z9IG

Created by admin on Fri Dec 15 15:34:36 GMT 2023 , Edited by admin on Fri Dec 15 15:34:36 GMT 2023

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PUBCHEM

76969391

Created by admin on Fri Dec 15 15:34:36 GMT 2023 , Edited by admin on Fri Dec 15 15:34:36 GMT 2023

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Related Record Type Details


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EFAVIRENZ

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: