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

Details

Stereochemistry RACEMIC
Molecular Formula C14H19NO3.ClH
Molecular Weight 285.767
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-PROPYL BK-BDB HYDROCHLORIDE

SMILES

Cl.CCCNC(CC)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=KEDDCLHJSTXVSZ-UHFFFAOYSA-N
InChI=1S/C14H19NO3.ClH/c1-3-7-15-11(4-2)14(16)10-5-6-12-13(8-10)18-9-17-12;/h5-6,8,11,15H,3-4,7,9H2,1-2H3;1H

HIDE SMILES / InChI

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

Molecular Formula C14H19NO3
Molecular Weight 249.3056
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:48:36 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:36 GMT 2023
Record UNII
02KO1T35NZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-PROPYL BK-BDB HYDROCHLORIDE
Common Name English
1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(PROPYLAMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
BUTYROPHENONE, 3',4'-(METHYLENEDIOXY)-2-(PROPYLAMINO)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
122129921
Created by admin on Sat Dec 16 09:48:36 GMT 2023 , Edited by admin on Sat Dec 16 09:48:36 GMT 2023
PRIMARY
FDA UNII
02KO1T35NZ
Created by admin on Sat Dec 16 09:48:36 GMT 2023 , Edited by admin on Sat Dec 16 09:48:36 GMT 2023
PRIMARY
CAS
17762-91-3
Created by admin on Sat Dec 16 09:48:36 GMT 2023 , Edited by admin on Sat Dec 16 09:48:36 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT