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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl-J, (S)-

SMILES

CC[C@@H](CC1=CC2=C(OCO2)C=C1)NC

InChI

InChIKey=USWVWJSAJAEEHQ-JTQLQIEISA-N
InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:20:42 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:42 GMT 2023
Record UNII
AJ6337RW87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl-J, (S)-
Common Name English
(+)-MBDB
Common Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, .ALPHA.-ETHYL-N-METHYL-, (.ALPHA.S)-
Systematic Name English
MBDB, (S)-
Common Name English
(S)-MBDB
Common Name English
1,3-Benzodioxolyl-N-methylbutanamine, (S)-
Systematic Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, .ALPHA.-ETHYL-N-METHYL-, (S)-
Systematic Name English
3,4-methylenedioxy-N-methyl-α-ethylphenylethylamine, (S)-
Systematic Name English
N-methyl-1,3-benzodioxolylbutanamine, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
AJ6337RW87
Created by admin on Sat Dec 16 11:20:43 GMT 2023 , Edited by admin on Sat Dec 16 11:20:43 GMT 2023
PRIMARY
CAS
103882-54-8
Created by admin on Sat Dec 16 11:20:43 GMT 2023 , Edited by admin on Sat Dec 16 11:20:43 GMT 2023
PRIMARY
PUBCHEM
44290645
Created by admin on Sat Dec 16 11:20:43 GMT 2023 , Edited by admin on Sat Dec 16 11:20:43 GMT 2023
PRIMARY
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