LB-11058

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H15ClN8O6S3
Molecular Weight	571.01
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(\C=C\SC3=CC(=O)N=C(N)N3)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C4=C(Cl)SC(N)=N4)C(O)=O

InChI

InChIKey=POXQRKGEFBKVOI-OKDNWOHVSA-N

InChI=1S/C18H15ClN8O6S3/c19-12-8(25-18(21)36-12)9(26-33)13(29)24-10-14(30)27-11(16(31)32)5(4-35-15(10)27)1-2-34-7-3-6(28)22-17(20)23-7/h1-3,10,15,33H,4H2,(H2,21,25)(H,24,29)(H,31,32)(H3,20,22,23,28)/b2-1+,26-9-/t10-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H15ClN8O6S3
Molecular Weight	571.01
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:05:04 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:04 GMT 2023`
Record UNII	N2E3PVH36G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LB-11058

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-3-((1E)-2-((2-AMINO-3,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)THIO)ETHENYL)-8-OXO-, (6R,7R)-

Systematic Name

English

(6R,7R)-7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-3-((1E)-2-((2-AMINO-3,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)THIO)ETHENYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-5-CHLORO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-((1E)-2-((2-AMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)THIO)ETHENYL)-8-OXO-, (6R,7R)-

Systematic Name

English

LB11058

Code

English

Code System Code Type Description

CAS

591207-81-7

Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023

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PUBCHEM

9872839

Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023

PRIMARY

FDA UNII

N2E3PVH36G

Created by admin on Sat Dec 16 19:05:04 GMT 2023 , Edited by admin on Sat Dec 16 19:05:04 GMT 2023

PRIMARY

Related Record Type Details


					N2E3PVH36G

LB-11058

ACTIVE MOIETY