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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H21NO3.ClH
Molecular Weight 275.772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASYMBESCALINE HYDROCHLORIDE

SMILES

Cl.CCOC1=CC(CCN)=CC(OC)=C1OCC

InChI

InChIKey=CRNJUERFYSRXBE-UHFFFAOYSA-N
InChI=1S/C13H21NO3.ClH/c1-4-16-12-9-10(6-7-14)8-11(15-3)13(12)17-5-2;/h8-9H,4-7,14H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
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 13:17:10 GMT 2025
Edited
by admin
on Wed Apr 02 13:17:10 GMT 2025
Record UNII
SDF6CJ2M7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASYMBESCALINE HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 3,4-DIETHOXY-5-METHOXY-, HYDROCHLORIDE
Preferred Name English
BENZENEETHANAMINE, 3,4-DIETHOXY-5-METHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
86250376
Created by admin on Wed Apr 02 13:17:10 GMT 2025 , Edited by admin on Wed Apr 02 13:17:10 GMT 2025
PRIMARY
CAS
90132-30-2
Created by admin on Wed Apr 02 13:17:10 GMT 2025 , Edited by admin on Wed Apr 02 13:17:10 GMT 2025
PRIMARY
FDA UNII
SDF6CJ2M7G
Created by admin on Wed Apr 02 13:17:10 GMT 2025 , Edited by admin on Wed Apr 02 13:17:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE