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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H21NO3.ClH
Molecular Weight 287.782
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAL hydrochloride

SMILES

Cl.COC1=CC(CCN)=CC(OC)=C1OCC(C)=C

InChI

InChIKey=GCGJMVOSKDWSQD-UHFFFAOYSA-N
InChI=1S/C14H21NO3.ClH/c1-10(2)9-18-14-12(16-3)7-11(5-6-15)8-13(14)17-4;/h7-8H,1,5-6,9,15H2,2-4H3;1H

HIDE SMILES / InChI

Molecular Formula C14H21NO3
Molecular Weight 251.3214
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 15:03:08 GMT 2025
Edited
by admin
on Wed Apr 02 15:03:08 GMT 2025
Record UNII
BR49EHL4LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAL (PSYCHEDELIC) hydrochloride
Preferred Name English
MAL hydrochloride
Common Name English
METHALLYLESCALINE hydrochloride
Common Name English
4-METHYLALLYLOXY-3,5-DIMETHOXYPHENETHYLAMINE HYDROCHLORIDE
Systematic Name English
Benzeneethanamine, 3,5-dimethoxy-4-[(2-methyl-2-propen-1-yl)oxy]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
166177246
Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025
PRIMARY
CAS
2736398-22-2
Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025
PRIMARY
FDA UNII
BR49EHL4LK
Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY