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Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO3
Molecular Weight 207.2258
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BK-BDB

SMILES

CCC(N)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=LPWAUWDHBUIFEE-UHFFFAOYSA-N
InChI=1S/C11H13NO3/c1-2-8(12)11(13)7-3-4-9-10(5-7)15-6-14-9/h3-5,8H,2,6,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H13NO3
Molecular Weight 207.2258
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 10:12:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:47 GMT 2023
Record UNII
4LQE09H5G4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BK-BDB
Common Name English
1-BUTANONE, 2-AMINO-1-(1,3-BENZODIOXOL-5-YL)-
Systematic Name English
2-AMINO-1-(3,4-METHYLENEDIOXYPHENYL)BUTANE-1-ONE
Systematic Name English
J3.321.830C
Code English
Code System Code Type Description
PUBCHEM
102362578
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
CAS
1213250-93-1
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
FDA UNII
4LQE09H5G4
Created by admin on Sat Dec 16 10:12:47 GMT 2023 , Edited by admin on Sat Dec 16 10:12:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
abuser A: 3.5 mcg/mL (6.7 mcg/mL after hydrolysis); abuser B: not quantitated (before and after hydrolysis)
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