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Details

Stereochemistry MIXED
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)BUTAN-1-OL

SMILES

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

InChI

InChIKey=VTUYVPHJJVAOIE-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,12-14H,3,7H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-METHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)BUTAN-1-OL
Systematic Name English
.BETA.-OH-MBDB
Common Name English
1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-(1-(METHYLAMINO)PROPYL)-
Systematic Name English
Code System Code Type Description
CAS
1213250-96-4
Created by admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
PRIMARY
FDA UNII
R4Z4XJD7JH
Created by admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
PRIMARY
PUBCHEM
129844542
Created by admin on Sat Dec 16 10:14:43 GMT 2023 , Edited by admin on Sat Dec 16 10:14:43 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BUTYLONE
NIH
NCATS
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