N-ACETYLDEACETOXYCEPHALOSPORIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21N3O7S
Molecular Weight	399.419
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYLDEACETOXYCEPHALOSPORIN C

Structure Search

SMILES

[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](NC(C)=O)C(O)=O)C(O)=O

InChI

InChIKey=ZQSOIAVAASAPEW-GLXFQSAKSA-N

InChI=1S/C16H21N3O7S/c1-7-6-27-14-11(13(22)19(14)12(7)16(25)26)18-10(21)5-3-4-9(15(23)24)17-8(2)20/h9,11,14H,3-6H2,1-2H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H21N3O7S
Molecular Weight	399.419
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 12:44:00 GMT 2023` Edited by `admin` on `Sat Dec 16 12:44:00 GMT 2023`
Record UNII	DUZ6RRE5Q3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYLDEACETOXYCEPHALOSPORIN C

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((5-(ACETYLAMINO)-5-CARBOXY-1-OXOPENTYL)AMINO)-3-METHYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*)))-

Systematic Name

English

(6R,7R)-7-(((5R)-5-ACETAMIDO-6-HYDROXY-6-OXO-HEXANOYL)AMINO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

56974-21-1

Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023

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FDA UNII

DUZ6RRE5Q3

Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023

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PUBCHEM

122201173

Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023

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