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

Details

Stereochemistry RACEMIC
Molecular Formula C14H21NO2
Molecular Weight 235.322
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDBU

SMILES

CCCCNC(C)CC1=CC=C2OCOC2=C1

InChI

InChIKey=RDXVRDCQDITVDV-UHFFFAOYSA-N
InChI=1S/C14H21NO2/c1-3-4-7-15-11(2)8-12-5-6-13-14(9-12)17-10-16-13/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H21NO2
Molecular Weight 235.322
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 16:59:42 UTC 2023
Edited
by admin
on Sat Dec 16 16:59:42 UTC 2023
Record UNII
934E9JU8H5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDBU
Common Name English
METHYLENEDIOXYBUTYLAMPHETAMINE
Common Name English
3,4-METHYLENEDIOXY-N-BUTYLAMPHETAMINE
Systematic Name English
(1-(2H-1,3-BENZODIOXOL-5-YL)PROPAN-2-YL)(BUTYL)AMINE
Systematic Name English
N-BUTYL-.ALPHA.-METHYL-1,3-BENZODIOXOLE-5-ETHANAMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA PiHKAL
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
Code System Code Type Description
PUBCHEM
16206440
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
PRIMARY
CAS
74698-38-7
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
PRIMARY
FDA UNII
934E9JU8H5
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
PRIMARY
WIKIPEDIA
Methylenedioxybutylamphetamine
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID40583322
Created by admin on Sat Dec 16 16:59:42 UTC 2023 , Edited by admin on Sat Dec 16 16:59:42 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY