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

Molecular Formula C17H15BrN2
Molecular Weight 327.218
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Brolaconazole is imidazole derivative with potent antimicrobial activity against pathogenic fungi, molds, yeasts, and Gram-positive bacteria. Brolaconazole showed an inhibition band of 20-40 mM against Candida albican and it demonstrates higher activity compare bifonazole. Brolaconazole is useful for the treatment of dermal and vaginal infections such as vaginal candidiasis, tinea corporis, tinea pedis, tinea cruris, and other dermal infections.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:24:32 GMT 2023
Edited
by admin
on Fri Dec 15 17:24:32 GMT 2023
Record UNII
6CHG505391
Record Status Validated (UNII)
Record Version
  • Download
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 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID10276693
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
INN
6203
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104202
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
PUBCHEM
189880
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
NCI_THESAURUS
C72957
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
SMS_ID
100000088668
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
CAS
108894-40-2
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
SUPERSEDED
CAS
118528-04-4
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
EVMPD
SUB05902MIG
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
FDA UNII
6CHG505391
Created by admin on Fri Dec 15 17:24:32 GMT 2023 , Edited by admin on Fri Dec 15 17:24:32 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY