Cefazedone Impurity 6 sodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H14Cl2N3O7S.Na
Molecular Weight	498.27
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cefazedone Impurity 6 sodium salt

Structure Search

SMILES

[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CN3C=C(Cl)C(=O)C(Cl)=C3)C2=O)C([O-])=O

InChI

InChIKey=GGPBSYNZYHEHSG-VQZRABBESA-M

InChI=1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1/t12-,16-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C17H14Cl2N3O7S
Molecular Weight	475.28
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:29:56 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:56 GMT 2025`
Record UNII	7R4VJ2KD8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMD-29645

Preferred Name

English

Cefazedone Impurity 6 sodium salt

Common Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R-trans)-

Systematic Name

English

Sodium;(6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

267-046-3