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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2.H2O4S
Molecular Weight 321.39
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOET sulfate

SMILES

OS(O)(=O)=O.CCC1=CC(OC)=C(CC(C)N)C=C1OC

InChI

InChIKey=DWSSSSOIYWNWFO-UHFFFAOYSA-N
InChI=1S/C13H21NO2.H2O4S/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3;1-5(2,3)4/h7-9H,5-6,14H2,1-4H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C13H21NO2
Molecular Weight 223.3113
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P28223
Gene ID: 3356.0
Gene Symbol: HTR2A
Target Organism: Homo sapiens (Human)
137.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Some pharmacological actions of 2,5-dimethoxy-4-ethylamphetamine (DOET) in rats and mice.
1975 Jan
The discriminative stimulus properties of 2,5-dimethoxy-4-methylamphetamine (DOM): differentiation from amphetamine.
1980
Sulfur analogues of psychotomimetic agents. 2. Analogues of (2,5-dimethoxy-4-methylphenyl)-and (2,5-dimethoxy-4-ethylphenyl)isopropylamine.
1983 May
[Studies on the identification of psychotropic substances. VI. Preparation and various analytical data of reference standards of some hallucinogens, 2,5-dimethoxy-4-methylamphetamine (STP), 2,5-dimethoxy-4-bromoamphetamine (DOB) and 2,5-dimethoxy-4-ethylamphetamine (DOET)].
1989
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:20:16 UTC 2023
Edited
by admin
on Sat Dec 16 08:20:16 UTC 2023
Record UNII
O1ZE7DI6MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOET sulfate
Common Name English
Hecate sulfate
Common Name English
DOE sulfate
Common Name English
2,5-DIMETHOXY-4-ETHYLAMPHETAMINE SULFATE
Systematic Name English
Benzeneethanamine, 4-ethyl-2,5-dimethoxy-α-methyl-, sulfate (1:1)
Systematic Name English
Phenethylamine, 4-ethyl-2,5-dimethoxy-α-methyl-, sulfate (1:1)
Systematic Name English
Code System Code Type Description
CAS
22702-18-7
Created by admin on Sat Dec 16 08:20:16 UTC 2023 , Edited by admin on Sat Dec 16 08:20:16 UTC 2023
PRIMARY
FDA UNII
O1ZE7DI6MW
Created by admin on Sat Dec 16 08:20:16 UTC 2023 , Edited by admin on Sat Dec 16 08:20:16 UTC 2023
PRIMARY
PUBCHEM
133065423
Created by admin on Sat Dec 16 08:20:16 UTC 2023 , Edited by admin on Sat Dec 16 08:20:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY