Cefamandole Impurity A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20N6O6S2
Molecular Weight	504.539
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](OC(C)=O)C4=CC=CC=C4)C(O)=O

InChI

InChIKey=GMOWDNMIMITXAA-DDUZABMNSA-N

InChI=1S/C20H20N6O6S2/c1-10(27)32-15(11-6-4-3-5-7-11)16(28)21-13-17(29)26-14(19(30)31)12(8-33-18(13)26)9-34-20-22-23-24-25(20)2/h3-7,13,15,18H,8-9H2,1-2H3,(H,21,28)(H,30,31)/t13-,15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H20N6O6S2
Molecular Weight	504.539
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:18:45 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:45 GMT 2023`
Record UNII	KVR48F5C6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cefamandole Impurity A

Common Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(acetyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-[6α,7β(R*)]]-

Systematic Name

English

(6R,7R)-7-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

131878555

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

PRIMARY

CAS

36922-15-3

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

PRIMARY

FDA UNII

KVR48F5C6K

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

PRIMARY

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