((2S)-2-(2-CHLORO-3-SULFOOXY-PHENYL)-2-HYDROXY-ETHYL) CARBAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H10ClNO7S
Molecular Weight	311.696
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((2S)-2-(2-CHLORO-3-SULFOOXY-PHENYL)-2-HYDROXY-ETHYL) CARBAMATE

Structure Search

SMILES

NC(=O)OC[C@@H](O)C1=CC=CC(OS(O)(=O)=O)=C1Cl

InChI

InChIKey=JDTNUKJQLVPINU-ZCFIWIBFSA-N

InChI=1S/C9H10ClNO7S/c10-8-5(6(12)4-17-9(11)13)2-1-3-7(8)18-19(14,15)16/h1-3,6,12H,4H2,(H2,11,13)(H,14,15,16)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H10ClNO7S
Molecular Weight	311.696
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 16:46:19 UTC 2023` Edited by `admin` on `Sat Dec 16 16:46:19 UTC 2023`
Record UNII	56KI4K9VRW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((2S)-2-(2-CHLORO-3-SULFOOXY-PHENYL)-2-HYDROXY-ETHYL) CARBAMATE

Systematic Name

English

RWJ-333369 METABOLITE M11

Common Name

English

1-(2-CHLORO-3-(SULFOOXY)PHENYL)-1,2-ETHANEDIOL 2-CARBAMATE

Systematic Name

English

1,2-ETHANEDIOL, 1-(2-CHLORO-3-(SULFOOXY)PHENYL)-, 2-CARBAMATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

154572899

Created by admin on Sat Dec 16 16:46:19 UTC 2023 , Edited by admin on Sat Dec 16 16:46:19 UTC 2023

PRIMARY

FDA UNII

56KI4K9VRW

Created by admin on Sat Dec 16 16:46:19 UTC 2023 , Edited by admin on Sat Dec 16 16:46:19 UTC 2023

PRIMARY

CAS

940279-79-8

Created by admin on Sat Dec 16 16:46:19 UTC 2023 , Edited by admin on Sat Dec 16 16:46:19 UTC 2023

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Related Record Type Details


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CARISBAMATE

PARENT -> METABOLITE

Qualification:

URINE

Amount: