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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO3.H2O4S
Molecular Weight 335.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYLESCALINE SULFATE

SMILES

OS(O)(=O)=O.COC1=CC(CCN)=CC(OC)=C1OCC=C

InChI

InChIKey=FNQWAQMLICHTGP-UHFFFAOYSA-N
InChI=1S/C13H19NO3.H2O4S/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3;1-5(2,3)4/h4,8-9H,1,5-7,14H2,2-3H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-ALLYLOXY-3,5-DIMETHOXYPHENETHYLAMINE SULFATE
Preferred Name English
ALLYLESCALINE SULFATE
Common Name English
BENZENEETHANAMINE, 3,5-DIMETHOXY-4-(2-PROPENYLOXY)-, SULFATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
9JDS6JZL39
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
CAS
54110-94-0
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
PUBCHEM
163203595
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ALLYLESCALINE
NIH
NCATS
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