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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28BrNO
Molecular Weight 402.368
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMADOL

SMILES

CN(C)[C@]1(CC[C@@](O)(CCC2=CC=CC=C2)CC1)C3=CC=C(Br)C=C3

InChI

InChIKey=PRSUTWWKYIVBEU-HZCBDIJESA-N
InChI=1S/C22H28BrNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3/t21-,22-

HIDE SMILES / InChI

Molecular Formula C22H28BrNO
Molecular Weight 402.368
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:59:32 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:32 GMT 2023
Record UNII
G8HCJ9R4VZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMADOL
Common Name English
TRANS-4-(4-BROMOPHENYL)-4-(DIMETHYLAMINO)-1-(2-PHENYLETHYL)CYCLOHEXANOL
Systematic Name English
BDPC
Code English
CYCLOHEXANOL, 4-(4-BROMOPHENYL)-4-(DIMETHYLAMINO)-1-(2-PHENYLETHYL)-, TRANS-
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Bromadol
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
Code System Code Type Description
WIKIPEDIA
https://en.wikipedia.org/wiki/BDPC
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
PRIMARY
PUBCHEM
9887338
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
PRIMARY
CAS
77239-98-6
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
PRIMARY
FDA UNII
G8HCJ9R4VZ
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID201018410
Created by admin on Sat Dec 16 16:59:32 GMT 2023 , Edited by admin on Sat Dec 16 16:59:32 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Nanobit beta-arrestin assay. Fentanyl 14.3 nanomolar
EC50
TARGET -> AGONIST
The antinociceptive ED50 in mouse hot plate of the two compounds were 11.5 μg/kg and 13.4 μg/kg respectively.
Ki
Related Record Type Details
ACTIVE MOIETY