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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23NO3
Molecular Weight 289.3694
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESEMBRINE, (+)-

SMILES

COC1=CC=C(C=C1OC)[C@@]23CCN(C)[C@@H]2CC(=O)CC3

InChI

InChIKey=DAHIQPJTGIHDGO-IAGOWNOFSA-N
InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H23NO3
Molecular Weight 289.3694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:19:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:19:44 GMT 2025
Record UNII
P5X28MLQ1Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESEMBRINE, (+)-
Common Name English
(+)-MESEMBRANONE
Preferred Name English
MESEMBRINE (+)-FORM [MI]
Common Name English
6H-INDOL-6-ONE, 3A-(3,4-DIMETHOXYPHENYL)OCTAHYDRO-1-METHYL-, (3AR-CIS)-
Systematic Name English
6H-INDOL-6-ONE, 3A-(3,4-DIMETHOXYPHENYL)OCTAHYDRO-1-METHYL-, (3AR,7AR)-
Systematic Name English
(+)-MESEMBRINE
Common Name English
Code System Code Type Description
MERCK INDEX
m7246
Created by admin on Mon Mar 31 22:19:44 GMT 2025 , Edited by admin on Mon Mar 31 22:19:44 GMT 2025
PRIMARY Merck Index
FDA UNII
P5X28MLQ1Z
Created by admin on Mon Mar 31 22:19:44 GMT 2025 , Edited by admin on Mon Mar 31 22:19:44 GMT 2025
PRIMARY
CAS
468-53-1
Created by admin on Mon Mar 31 22:19:44 GMT 2025 , Edited by admin on Mon Mar 31 22:19:44 GMT 2025
PRIMARY
PUBCHEM
193296
Created by admin on Mon Mar 31 22:19:44 GMT 2025 , Edited by admin on Mon Mar 31 22:19:44 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY