CEFROTIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N4O4S
Molecular Weight	414.478
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)CC3=CC=C(C=C3)C4=NCCCN4)C2=O)C(O)=O

InChI

InChIKey=QFTZCQVZVRVDTD-DNVCBOLYSA-N

InChI=1S/C20H22N4O4S/c1-11-10-29-19-15(18(26)24(19)16(11)20(27)28)23-14(25)9-12-3-5-13(6-4-12)17-21-7-2-8-22-17/h3-6,15,19H,2,7-10H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t15-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H22N4O4S
Molecular Weight	414.478
Charge	0
Count

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

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19731122&CC=DE&NR=2222140A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20190405&CC=CN&NR=109568323A&KC=A | https://www.ncbi.nlm.nih.gov/pubmed/15781398

Cefrotil is an antibiotic drug patented by pharmaceutical company Farbwerke Hoechst A.-G. And used as pharmaceutical intermediates

Originator

Approval Year

PubMed

Title	Date	PubMed
Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity.	2005-04-15	15781398

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:33:38 GMT 2025` Edited by `admin` on `Mon Mar 31 18:33:38 GMT 2025`
Record UNII	44P98H0A27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

cefrotil [INN]

Preferred Name

English

CEFROTIL

Official Name

English

Classification Tree Code System Code

NCI_THESAURUS

C357