BMS-180448

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18ClN5O2
Molecular Weight	395.842
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H](\N=C(\NC#N)NC3=CC=C(Cl)C=C3)[C@@H]1O

InChI

InChIKey=VLICJSLDCJXZBG-MSOLQXFVSA-N

InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18ClN5O2
Molecular Weight	395.842
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:27 GMT 2023`
Record UNII	9B1I77MS94
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-180448

Common Name

English

GUANIDINE, N-(4-CHLOROPHENYL)-N'-CYANO-N''-((3S,4R)-6-CYANO-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL)-

Systematic Name

English

GUANIDINE, N-(4-CHLOROPHENYL)-N'-CYANO-N''-(6-CYANO-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL)-, (3S-TRANS)-

Common Name

English

Code System Code Type Description

CAS

144301-94-0

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

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EPA CompTox

DTXSID501107038

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

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FDA UNII

9B1I77MS94

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

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PUBCHEM

60880

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

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Related Record Type Details


					9B1I77MS94

BMS-180448

ACTIVE MOIETY