SODIUM 7-(DIETHYLCARBAMOYLMERCAPTOACETAMIDO)CEPHALOSPORANATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22N3O7S2.Na
Molecular Weight	467.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 7-(DIETHYLCARBAMOYLMERCAPTOACETAMIDO)CEPHALOSPORANATE

SMILES

[Na+].CCN(CC)C(=O)SCC(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O

InChI

InChIKey=OKHPKCHWBWWTHH-XRZFDKQNSA-M

InChI=1S/C17H23N3O7S2.Na/c1-4-19(5-2)17(26)29-8-11(22)18-12-14(23)20-13(16(24)25)10(6-27-9(3)21)7-28-15(12)20;/h12,15H,4-8H2,1-3H3,(H,18,22)(H,24,25);/q;+1/p-1/t12-,15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C17H22N3O7S2
Molecular Weight	444.502
Charge	-1
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	472N8ZAI21
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 7-(DIETHYLCARBAMOYLMERCAPTOACETAMIDO)CEPHALOSPORANATE

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(HYDROXYMETHYL)-7-(2-MERCAPTOACETAMIDO)-8-OXO-, 3-ACETATE 7-(DIETHYLCARBAMATE), MONOSODIUM SALT

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-(((((DIETHYLAMINO)CARBONYL)THIO)ACETYL)AMINO)-8-OXO-, MONOSODIUM SALT, (6R-TRANS)-

Systematic Name

English

CARBAMIC ACID, DIETHYLTHIO-, S-ESTER WITH 3-(HYDROXYMETHYL)-7-(2-MERCAPTOACETAMIDO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID 3-ACETATE MONOSODIUM SALT

Common Name

English

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Code System

Code

Type

Description

EPA CompTox

DTXSID10635382

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