U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO5S
Molecular Weight 275.321
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3-METHOXYMETHAMPHETAMINE-4-O-SULFATE

SMILES

CNC(C)CC1=CC=C(OS(O)(=O)=O)C(OC)=C1

InChI

InChIKey=IYXSONOTJHQUFQ-UHFFFAOYSA-N
InChI=1S/C11H17NO5S/c1-8(12-2)6-9-4-5-10(11(7-9)16-3)17-18(13,14)15/h4-5,7-8,12H,6H2,1-3H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C11H17NO5S
Molecular Weight 275.321
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
FI7RY2GH5X
Record Status Validated (UNII)
Record Version