BMS-180680-01

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17N7O10S2
Molecular Weight	567.509
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@H](NC(=O)C(=N/OCC2=NC3=C(C=C(O)C(O)=C3)N=C2C(O)=O)\C4=CSC(N)=N4)C(=O)N1S(O)(=O)=O

InChI

InChIKey=FAUHVXXXXAHABE-VHLYPECSSA-N

InChI=1S/C19H17N7O10S2/c1-6-13(17(30)26(6)38(33,34)35)24-16(29)14(10-5-37-19(20)23-10)25-36-4-9-15(18(31)32)22-8-3-12(28)11(27)2-7(8)21-9/h2-3,5-6,13,27-28H,4H2,1H3,(H2,20,23)(H,24,29)(H,31,32)(H,33,34,35)/b25-14-/t6-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H17N7O10S2
Molecular Weight	567.509
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 `Mon Mar 31 18:07:40 GMT 2025` Edited by `admin` on `Mon Mar 31 18:07:40 GMT 2025`
Record UNII	Q52GJJ5NEL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-180680-01

Code

English

BMS 180680-01

Preferred Name

English

BMS-180680

Code

English

PA-1806

Code

English

3-((((1-(2-AMINO-4-THIAZOLYL)-2-((2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)METHYL)-6,7-DIHYDROXY-2-QUINOXALINECARBOXYLIC ACID,(2R-(2A,3A(Z)))

Common Name

English

Code System Code Type Description

FDA UNII

Q52GJJ5NEL

Created by admin on Mon Mar 31 18:07:40 GMT 2025 , Edited by admin on Mon Mar 31 18:07:40 GMT 2025

PRIMARY

PUBCHEM

135462917

Created by admin on Mon Mar 31 18:07:40 GMT 2025 , Edited by admin on Mon Mar 31 18:07:40 GMT 2025

PRIMARY

CAS

142654-34-0

Created by admin on Mon Mar 31 18:07:40 GMT 2025 , Edited by admin on Mon Mar 31 18:07:40 GMT 2025

PRIMARY

Related Record Type Details


					Q52GJJ5NEL

BMS-180680-01

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