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

Details

Stereochemistry RACEMIC
Molecular Formula C13H18BrNO.ClH
Molecular Weight 320.653
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(N-TERT-BUTYLAMINO)-3'-BROMOPROPIOPHENONE HYDROCHLORIDE

SMILES

Cl.CC(NC(C)(C)C)C(=O)C1=CC(Br)=CC=C1

InChI

InChIKey=HMVQYWGSISNYSZ-UHFFFAOYSA-N
InChI=1S/C13H18BrNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C13H18BrNO
Molecular Weight 284.192
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:30:09 UTC 2023
Edited
by admin
on Sat Dec 16 18:30:09 UTC 2023
Record UNII
BAM3M2DEJ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(N-TERT-BUTYLAMINO)-3'-BROMOPROPIOPHENONE HYDROCHLORIDE
Common Name English
BUPROPION HYDROCHLORIDE RELATED COMPOUND B [USP-RS]
Common Name English
2-(TERT-BUTYLAMINO)-3'-BROMOPROPIOPHENONE HYDROCHLORIDE
Systematic Name English
1-PROPANONE, 1-(3-BROMOPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1078755
Created by admin on Sat Dec 16 18:30:10 UTC 2023 , Edited by admin on Sat Dec 16 18:30:10 UTC 2023
PRIMARY
FDA UNII
BAM3M2DEJ8
Created by admin on Sat Dec 16 18:30:10 UTC 2023 , Edited by admin on Sat Dec 16 18:30:10 UTC 2023
PRIMARY
CAS
1049718-43-5
Created by admin on Sat Dec 16 18:30:10 UTC 2023 , Edited by admin on Sat Dec 16 18:30:10 UTC 2023
PRIMARY
PUBCHEM
3031061
Created by admin on Sat Dec 16 18:30:10 UTC 2023 , Edited by admin on Sat Dec 16 18:30:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE