ARASERTACONAZOLE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H15Cl3N2OS
Molecular Weight	437.77
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ARASERTACONAZOLE

Structure Search

SMILES

ClC1=CC(Cl)=C(C=C1)[C@H](CN2C=CN=C2)OCC3=CSC4=C(Cl)C=CC=C34

InChI

InChIKey=JLGKQTAYUIMGRK-IBGZPJMESA-N

InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ARASERTACONAZOLE

Official Name

English

1H-IMIDAZOLE, 1-((2R)-2-((7-CHLOROBENZO(B)THIEN-3-YL)METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-

Systematic Name

English

SERTACONAZOLE, (R)-

Common Name

English

arasertaconazole [INN]

Common Name

English

1-((2R)-2-((7-CHLORO-1-BENZOTHIOPHEN-3-YL)METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDAZOLE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

Code System Code Type Description

FDA UNII

PR82C5R514

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

PRIMARY

CHEBI

83685

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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EPA CompTox

DTXSID00207032

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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ChEMBL

CHEMBL1410877

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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INN

8554

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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SMS_ID

300000036865

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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PUBCHEM

6604451

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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CAS

583057-48-1

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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NCI_THESAURUS

C79926

Created by admin on Fri Dec 15 17:19:53 UTC 2023 , Edited by admin on Fri Dec 15 17:19:53 UTC 2023

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ACTIVE MOIETY


					PR82C5R514

ARASERTACONAZOLE