TIVANIDAZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13N5O2S
Molecular Weight	279.318
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TIVANIDAZOLE

Structure Search

SMILES

CCC1=NN=C(S1)C(\C)=C\C2=NC=C(N2C)[N+]([O-])=O

InChI

InChIKey=FAMHRHPGWNQVGW-FNORWQNLSA-N

InChI=1S/C11H13N5O2S/c1-4-9-13-14-11(19-9)7(2)5-8-12-6-10(15(8)3)16(17)18/h5-6H,4H2,1-3H3/b7-5+

HIDE SMILES / InChI

Description
Sources: https://apps.who.int/iris/bitstream/handle/10665/67830/WHO_EDM_QSM_2003.2.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 1210, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ | https://www.ncbi.nlm.nih.gov/pubmed/18753687

Tivanidazole is metronidazole derivative. It is antiprotozoal drug. Tivanidazole was used as trichomonacide.

Approval Year

PubMed

PubMed

Title	Date	PubMed
New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors.	2008-09	18753687
A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results.	2005-09-01	16005626

Name

Type

Language

tivanidazole [INN]

Preferred Name

English

TIVANIDAZOLE

Official Name

English

Classification Tree Code System Code

NCI_THESAURUS

C277

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Code System Code Type Description

EPA CompTox

DTXSID10230497

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INN

5226

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NCI_THESAURUS

C73279

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PUBCHEM

6450473

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CAS

80680-05-3

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SMS_ID

100000082120

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FDA UNII

7E136TJT00

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ChEMBL

CHEMBL2106708

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EVMPD

SUB11123MIG

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ACTIVE MOIETY


					7E136TJT00