TIVANIDAZOLE

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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

Molecular Formula	C11H13N5O2S
Molecular Weight	279.318
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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
A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results.	2005 Sep 1	16005626
New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors.	2008 Sep	18753687

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:27 GMT 2023`
Record UNII	7E136TJT00
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIVANIDAZOLE

Official Name

English

tivanidazole [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C277

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID10230497

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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INN

5226

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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NCI_THESAURUS

C73279

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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PUBCHEM

6450473

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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CAS

80680-05-3

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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SMS_ID

100000082120

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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FDA UNII

7E136TJT00

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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ChEMBL

CHEMBL2106708

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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EVMPD

SUB11123MIG

Created by admin on Fri Dec 15 15:43:27 GMT 2023 , Edited by admin on Fri Dec 15 15:43:27 GMT 2023

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