CEFETRIZOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15N5O4S3
Molecular Weight	437.516
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(CSC3=NN=CN3)=C(N1C(=O)[C@H]2NC(=O)CC4=CC=CS4)C(O)=O

InChI

InChIKey=UQWYUAURRDNBKR-BXUZGUMPSA-N

InChI=1S/C16H15N5O4S3/c22-10(4-9-2-1-3-26-9)19-11-13(23)21-12(15(24)25)8(5-27-14(11)21)6-28-16-17-7-18-20-16/h1-3,7,11,14H,4-6H2,(H,19,22)(H,24,25)(H,17,18,20)/t11-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H15N5O4S3
Molecular Weight	437.516
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16270182 | https://www.ncbi.nlm.nih.gov/pubmed/15781398

Cefetrizole is aminocephalosporanic acid derivative with broad antibacterial activity against penicillin-resistant strains patented by Spanish pharmaceutical company Ferrer Internacional S. A.

Originator

Approval Year

PubMed

Title	Date	PubMed
Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents.	2006 Feb	16270182

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:19:09 GMT 2023` Edited by `admin` on `Sat Dec 16 17:19:09 GMT 2023`
Record UNII	61K37E446T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFETRIZOLE

Official Name

English

cefetrizole [INN]

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 8-OXO-7-((2-THIENYLACETYL)AMINO)-3-((1H-1,2,4-TRIAZOL-3-YLTHIO)METHYL)-, (6R,7R)-

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 8-OXO-7-((2-(2-THIENYL)ACETYL)AMINO)-3-((1H-1,2,4-TRIAZOL-5-YLTHIO)METHYL)-, (6R,7R)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C357