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

Details

Stereochemistry RACEMIC
Molecular Formula C15H21BrN2O
Molecular Weight 325.244
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMADOLINE

SMILES

CN(C)[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(Br)C=C2

InChI

InChIKey=UFDJFJYMMIZKLG-KBPBESRZSA-N
InChI=1S/C15H21BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H21BrN2O
Molecular Weight 325.244
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:27:02 GMT 2023
Edited
by admin
on Sat Dec 16 16:27:02 GMT 2023
Record UNII
R8DWN01P1M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMADOLINE
INN   WHO-DD  
INN  
Official Name English
TRANS-P-BROMO-N-(2-(DIMETHYLAMINO)CYCLOHEXYL)BENZAMIDE
Common Name English
Bromadoline [WHO-DD]
Common Name English
bromadoline [INN]
Common Name English
BENZAMIDE, 4-BROMO-N-(2-(DIMETHYLAMINO)CYCLOHEXYL)-, TRANS-
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Bromadoline
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
NCI_THESAURUS C241
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID40217897
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
EVMPD
SUB05905MIG
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
WIKIPEDIA
BROMADOLINE
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
NCI_THESAURUS
C79931
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
MESH
C045811
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110893
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
CAS
67579-24-2
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
SMS_ID
100000088652
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
PUBCHEM
54753
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
FDA UNII
R8DWN01P1M
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
INN
5355
Created by admin on Sat Dec 16 16:27:02 GMT 2023 , Edited by admin on Sat Dec 16 16:27:02 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY