SULFACECOLE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17N3O5S
Molecular Weight	339.367
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SULFACECOLE

Structure Search

SMILES

CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(C)=C2

InChI

InChIKey=HZSKRKPZUQECIE-UHFFFAOYSA-N

InChI=1S/C14H17N3O5S/c1-3-21-9-14(18)15-11-4-6-12(7-5-11)23(19,20)17-13-8-10(2)22-16-13/h4-8H,3,9H2,1-2H3,(H,15,18)(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H17N3O5S
Molecular Weight	339.367
Charge	0
Count

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

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

Sulfacecole is an isoxazolylsulfanilamide derivative patented by Hoffmann -La Roche, F., und Co., A.-G. as antibacterial agent.

Originator

Approval Year

PubMed

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

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:53:31 GMT 2025` Edited by `admin` on `Mon Mar 31 17:53:31 GMT 2025`
Record UNII	AP3C1V2UPV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

sulfacecole [INN]

Preferred Name

English

SULFACECOLE

Official Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

Code System Code Type Description

ChEMBL

CHEMBL2105536

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

PRIMARY

CAS

21662-79-3

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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FDA UNII

AP3C1V2UPV

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

PRIMARY

PUBCHEM

178140

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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INN

3427

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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NCI_THESAURUS

C77059

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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EVMPD

SUB10686MIG

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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EPA CompTox

DTXSID90176046

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

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SMS_ID

100000083241

Created by admin on Mon Mar 31 17:53:31 GMT 2025 , Edited by admin on Mon Mar 31 17:53:31 GMT 2025

PRIMARY

Related Record Type Details


					AP3C1V2UPV

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