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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H17NO3
Molecular Weight 211.2576
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMESCALINE

SMILES

COC1=C(OC)C(OC)=C(CCN)C=C1

InChI

InChIKey=PVLFQRLVSMMSQK-UHFFFAOYSA-N
InChI=1S/C11H17NO3/c1-13-9-5-4-8(6-7-12)10(14-2)11(9)15-3/h4-5H,6-7,12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H17NO3
Molecular Weight 211.2576
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:22:33 GMT 2025
Edited
by admin
on Mon Mar 31 23:22:33 GMT 2025
Record UNII
Y5A6OUU263
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IM (PSYCHEDELIC)
Preferred Name English
ISOMESCALINE
Common Name English
2,3,4-TRIMETHOXY-.BETA.-PHENETHYLAMINE
Systematic Name English
2,3,4-TRIMETHOXYPHENYLETHYLAMINE
Systematic Name English
2,3,4-TRIMETHOXYBENZENEETHANAMINE
Systematic Name English
2-(2,3,4-TRIMETHOXYPHENYL)ETHYLAMINE
Systematic Name English
2,3,4-TRIMETHOXYPHENETHYLAMINE
Systematic Name English
BENZENEETHANAMINE, 2,3,4-TRIMETHOXY-
Systematic Name English
PHENETHYLAMINE, 2,3,4-TRIMETHOXY-
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA PiHKAL
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID60192571
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
PRIMARY
CAS
3937-16-4
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
PRIMARY
FDA UNII
Y5A6OUU263
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
PRIMARY
WIKIPEDIA
Isomescaline
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
PRIMARY
PUBCHEM
414332
Created by admin on Mon Mar 31 23:22:33 GMT 2025 , Edited by admin on Mon Mar 31 23:22:33 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY