RO-4597014

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26ClN3O5S
Molecular Weight	467.966
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC2CCCC2)C(=O)NC3=NC=C(N=C3)[C@H](O)CO

InChI

InChIKey=MGXHZTQMLYFNMR-CRAIPNDOSA-N

InChI=1S/C21H26ClN3O5S/c1-31(29,30)19-7-6-14(9-16(19)22)15(8-13-4-2-3-5-13)21(28)25-20-11-23-17(10-24-20)18(27)12-26/h6-7,9-11,13,15,18,26-27H,2-5,8,12H2,1H3,(H,24,25,28)/t15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26ClN3O5S
Molecular Weight	467.966
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:27 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:27 GMT 2025`
Record UNII	I655N5I88O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO4597014

Preferred Name

English

RO-4597014

Common Name

English

BENZENEACETAMIDE, 3-CHLORO-.ALPHA.-(CYCLOPENTYLMETHYL)-N-(5-((1S)-1,2-DIHYDROXYETHYL)-2-PYRAZINYL)-4-(METHYLSULFONYL)-, (.ALPHA.R)-

Systematic Name

English

Code System Code Type Description

CAS

710321-76-9

Created by admin on Mon Mar 31 22:52:27 GMT 2025 , Edited by admin on Mon Mar 31 22:52:27 GMT 2025

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FDA UNII

I655N5I88O

Created by admin on Mon Mar 31 22:52:27 GMT 2025 , Edited by admin on Mon Mar 31 22:52:27 GMT 2025

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PUBCHEM

10073306

Created by admin on Mon Mar 31 22:52:27 GMT 2025 , Edited by admin on Mon Mar 31 22:52:27 GMT 2025

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EPA CompTox

DTXSID001352381

Created by admin on Mon Mar 31 22:52:27 GMT 2025 , Edited by admin on Mon Mar 31 22:52:27 GMT 2025

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Related Record Type Details


					I655N5I88O

RO-4597014

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