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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2S.ClH
Molecular Weight 291.837
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHOXY-4-ETHYLTHIOAMPHETAMINE HYDROCHLORIDE

SMILES

Cl.CCSC1=CC(OC)=C(CC(C)N)C=C1OC

InChI

InChIKey=UFRAMTZQHHBXPH-UHFFFAOYSA-N
InChI=1S/C13H21NO2S.ClH/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4;/h7-9H,5-6,14H2,1-4H3;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 C13H21NO2S
Molecular Weight 255.376
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 10:39:47 GMT 2023
Edited
by admin
on Sat Dec 16 10:39:47 GMT 2023
Record UNII
XN542W6704
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-DIMETHOXY-4-ETHYLTHIOAMPHETAMINE HYDROCHLORIDE
Systematic Name English
ALEPH-2 HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 4-(ETHYLTHIO)-2,5-DIMETHOXY-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
178485-02-4
Created by admin on Sat Dec 16 10:39:47 GMT 2023 , Edited by admin on Sat Dec 16 10:39:47 GMT 2023
PRIMARY
PUBCHEM
112500501
Created by admin on Sat Dec 16 10:39:47 GMT 2023 , Edited by admin on Sat Dec 16 10:39:47 GMT 2023
PRIMARY
FDA UNII
XN542W6704
Created by admin on Sat Dec 16 10:39:47 GMT 2023 , Edited by admin on Sat Dec 16 10:39:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE