CEPHALOSPORIN C MONOSODIUM

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N3O8S.Na
Molecular Weight	437.4
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C([O-])=O)C(O)=O

InChI

InChIKey=HZWLVUKHUSRPCG-OOARYINLSA-M

InChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1/t9-,11-,14-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C16H20N3O8S
Molecular Weight	414.41
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Escherichia coli 82 Target ID: CHEMBL354 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22483632	Inhibitor 8297
Bacterial penicillin-binding protein 233 Target ID: CHEMBL2354204 Sources: https://www.ncbi.nlm.nih.gov/pubmed/31265231 \| https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20121206&CC=WO&NR=2012162814A1&KC=A1	Inhibitor 8297
Penicillin-binding protein 1A/1B 3 Target ID: P39793 Gene ID: 939044.0 Gene Symbol: ponA Target Organism: Bacillus subtilis (strain 168) Sources: https://www.ncbi.nlm.nih.gov/pubmed/7565098	Inhibitor 8297

PubMed

Title	Date	PubMed
Drugs as allergens: an immunoassay for detecting IgE antibodies to cephalosporins.	1990	2083978
beta-Lactam drug allergens: fine structural recognition patterns of cephalosporin-reactive IgE antibodies.	1996 Jul-Aug	9131470
Multichannel liquid chromatography-tandem mass spectrometry cocktail method for comprehensive substrate characterization of multidrug resistance-associated protein 4 transporter.	2007 Dec	17939016

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:10 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:10 GMT 2023`
Record UNII	ZG30U24Q08
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEPHALOSPORIN C MONOSODIUM

Common Name

English

SODIUM CEPHALOSPORIN C

Common Name

English

CEPHALOSPORIN C SODIUM SALT

Common Name

English

MONOSODIUM CEPHALOSPORIN C

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-(((5R)-5-AMINO-5-CARBOXY-1-OXOPENTYL)AMINO)-8-OXO-, SODIUM SALT (1:1), (6R,7R)-

Systematic Name

English

Code System Code Type Description

CAS

51762-04-0

Created by admin on Sat Dec 16 15:40:10 GMT 2023 , Edited by admin on Sat Dec 16 15:40:10 GMT 2023

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PUBCHEM

638031

Created by admin on Sat Dec 16 15:40:10 GMT 2023 , Edited by admin on Sat Dec 16 15:40:10 GMT 2023

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FDA UNII

ZG30U24Q08

Created by admin on Sat Dec 16 15:40:10 GMT 2023 , Edited by admin on Sat Dec 16 15:40:10 GMT 2023

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EPA CompTox

DTXSID20199687

Created by admin on Sat Dec 16 15:40:10 GMT 2023 , Edited by admin on Sat Dec 16 15:40:10 GMT 2023

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