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+].[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=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	22.9898
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 `Sat Dec 16 20:21:27 UTC 2023` Edited by `admin` on `Sat Dec 16 20:21:27 UTC 2023`
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-[6α,7β(R*)]]-

Systematic Name

English

Code System Code Type Description

FDA UNII

QAG2822VQF

Created by admin on Sat Dec 16 20:21:27 UTC 2023 , Edited by admin on Sat Dec 16 20:21:27 UTC 2023

PRIMARY

CAS

36922-16-4

Created by admin on Sat Dec 16 20:21:27 UTC 2023 , Edited by admin on Sat Dec 16 20:21:27 UTC 2023

PRIMARY

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Cefamandole Impurity A

PARENT -> SALT/SOLVATE

Amount: