U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H15BrN2
Molecular Weight 327.218
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROLACONAZOLE

SMILES

BrC1=CC=C(C=C1)C(CN2C=CN=C2)C3=CC=CC=C3

InChI

InChIKey=MLHFXOOXBZMGSH-UHFFFAOYSA-N
InChI=1S/C17H15BrN2/c18-16-8-6-15(7-9-16)17(12-20-11-10-19-13-20)14-4-2-1-3-5-14/h1-11,13,17H,12H2

HIDE SMILES / InChI

Approval Year

Name Type Language
BROLACONAZOLE
INN  
INN  
Official Name English
brolaconazole [INN]
Common Name English
(±)-1-(P-BROMO-.BETA.-PHENYLPHENETHYL)IMIDAZOLE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID10276693
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
INN
6203
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104202
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
PUBCHEM
189880
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
NCI_THESAURUS
C72957
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
SMS_ID
100000088668
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
CAS
108894-40-2
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
SUPERSEDED
CAS
118528-04-4
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
EVMPD
SUB05902MIG
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY
FDA UNII
6CHG505391
Created by admin on Fri Dec 15 17:24:32 UTC 2023 , Edited by admin on Fri Dec 15 17:24:32 UTC 2023
PRIMARY