PNU 180222

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H17NO2S
Molecular Weight	239.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC=CC(=C1)[C@@H]2CCCNC2

InChI

InChIKey=KMVLMAUQHRUFDO-LLVKDONJSA-N

InChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H17NO2S
Molecular Weight	239.334
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 16:34:54 UTC 2023` Edited by `admin` on `Sat Dec 16 16:34:54 UTC 2023`
Record UNII	WA0BU02HD7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU 180222

Code

English

(3S)-3-(3-(METHYLSULFONYL)PHENYL)PIPERIDINE

Systematic Name

English

PIPERIDINE, 3-(3-(METHYLSULFONYL)PHENYL)-, (3S)-

Systematic Name

English

N-DEPROPYL-(-)-OSU 6162

Common Name

English

Code System Code Type Description

CAS

160777-45-7

Created by admin on Sat Dec 16 16:34:54 UTC 2023 , Edited by admin on Sat Dec 16 16:34:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID501260125

Created by admin on Sat Dec 16 16:34:54 UTC 2023 , Edited by admin on Sat Dec 16 16:34:54 UTC 2023

PRIMARY

FDA UNII

WA0BU02HD7

Created by admin on Sat Dec 16 16:34:54 UTC 2023 , Edited by admin on Sat Dec 16 16:34:54 UTC 2023

PRIMARY

PUBCHEM

10466781

Created by admin on Sat Dec 16 16:34:54 UTC 2023 , Edited by admin on Sat Dec 16 16:34:54 UTC 2023

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Related Record Type Details


					0D21EQAQQA

OSU-6162

PARENT -> METABOLITE

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