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

Details

Stereochemistry RACEMIC
Molecular Formula C12H19NO2S.ClH
Molecular Weight 277.811
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ortho-DOT hydrochloride

SMILES

Cl.COC1=CC(CC(C)N)=C(SC)C=C1OC

InChI

InChIKey=JLMQHHMDLXOURA-UHFFFAOYSA-N
InChI=1S/C12H19NO2S.ClH/c1-8(13)5-9-6-10(14-2)11(15-3)7-12(9)16-4;/h6-8H,5,13H2,1-4H3;1H

HIDE SMILES / InChI

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

Molecular Formula C12H19NO2S
Molecular Weight 241.35
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:32:17 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:17 GMT 2023
Record UNII
LYX7E7Z79N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ortho-DOT hydrochloride
Common Name English
Benzeneethanamine, 4,5-dimethoxy-α-methyl-2-(methylthio)-, hydrochloride (1:1)
Systematic Name English
Benzeneethanamine, 4,5-dimethoxy-α-methyl-2-(methylthio)-, hydrochloride
Systematic Name English
4,5-dimethoxy-2-methylthioamphetamine hydrochloride
Systematic Name English
Code System Code Type Description
CAS
69587-04-8
Created by admin on Sat Dec 16 19:32:17 GMT 2023 , Edited by admin on Sat Dec 16 19:32:17 GMT 2023
PRIMARY
PUBCHEM
90673931
Created by admin on Sat Dec 16 19:32:17 GMT 2023 , Edited by admin on Sat Dec 16 19:32:17 GMT 2023
PRIMARY
FDA UNII
LYX7E7Z79N
Created by admin on Sat Dec 16 19:32:17 GMT 2023 , Edited by admin on Sat Dec 16 19:32:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE