Cefamandole Impurity C Sodium Salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N6O6S2.Na
Molecular Weight	526.521
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cefamandole Impurity C Sodium Salt

Structure Search

SMILES

[Na+].CN1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](OC(C)=O)C4=CC=CC=C4)C3=O)C([O-])=O

InChI

InChIKey=UTRXFMNJSPANIM-ZRCLMYKLSA-M

InChI=1S/C20H20N6O6S2.Na/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);/q;+1/p-1/t13-,15-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C20H19N6O6S2
Molecular Weight	503.531
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:43:13 GMT 2025` Edited by `admin` on `Wed Apr 02 19:43:13 GMT 2025`
Record UNII	QAG2822VQF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cefamandole Impurity C Sodium Salt

Systematic 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-, monosodium salt, [6R-[6?,7?(R*)]]-

Preferred Name

English

Code System Code Type Description

FDA UNII

QAG2822VQF

Created by admin on Wed Apr 02 19:43:13 GMT 2025 , Edited by admin on Wed Apr 02 19:43:13 GMT 2025

PRIMARY

PUBCHEM

169490926

Created by admin on Wed Apr 02 19:43:13 GMT 2025 , Edited by admin on Wed Apr 02 19:43:13 GMT 2025

PRIMARY

CAS

36922-16-4

Created by admin on Wed Apr 02 19:43:13 GMT 2025 , Edited by admin on Wed Apr 02 19:43:13 GMT 2025

PRIMARY

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