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

Details

Stereochemistry RACEMIC
Molecular Formula C15H19NS2.ClH
Molecular Weight 313.909
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLMETHYLTHIAMBUTENE HYDROCHLORIDE

SMILES

Cl.CCN(C)C(C)C=C(C1=CC=CS1)C2=CC=CS2

InChI

InChIKey=ISXRXBARLXCMSX-UHFFFAOYSA-N
InChI=1S/C15H19NS2.ClH/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15;/h5-12H,4H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C15H19NS2
Molecular Weight 277.448
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Ethylmethylthiambutene is a potent analgesic compatible with morphine. It possesses addiction liability similar to that of morphine.

Originator

Curator's Comment: reference retrieved from https://www.ncbi.nlm.nih.gov/pubmed/13066683

Approval Year

PubMed

PubMed

TitleDatePubMed
Actions and addition liability of the dithienylbutenylamines in man.
1953 Dec
Analgesic and other properties of 3: 3-dithienylalkenylamines.
1953 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:44:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:39 GMT 2023
Record UNII
KAG7WT018F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYLMETHYLTHIAMBUTENE HYDROCHLORIDE
Common Name English
3-BUTEN-2-AMINE, N-ETHYL-N-METHYL-4,4-DI-2-THIENYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
KAG7WT018F
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
CAS
64037-50-9
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID60982015
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
PUBCHEM
46423
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE