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

Details

Stereochemistry RACEMIC
Molecular Formula C16H19NS2.ClH
Molecular Weight 325.92
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRROLIDINYLTHIAMBUTENE HYDROCHLORIDE

SMILES

Cl.CC(C=C(C1=CC=CS1)C2=CC=CS2)N3CCCC3

InChI

InChIKey=STEXODZCAOPHMN-UHFFFAOYSA-N
InChI=1S/C16H19NS2.ClH/c1-13(17-8-2-3-9-17)12-14(15-6-4-10-18-15)16-7-5-11-19-16;/h4-7,10-13H,2-3,8-9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C16H19NS2
Molecular Weight 289.459
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:43:30 GMT 2023
Record UNII
AGK7AED6MA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRROLIDINYLTHIAMBUTENE HYDROCHLORIDE
Common Name English
THIOPHENE, 2,2'-(3-(1-PYRROLIDINYL)-1-BUTENYLIDENE)DI-, HYDROCHLORIDE
Systematic Name English
PYRROLIDINE, 1-(1-METHYL-3,3-DI-2-THIENYL-2-PROPEN-1-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
PYRROLIDINE, 1-(1-METHYL-3,3-DI-2-THIENYL-2-PROPENYL)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
155884415
Created by admin on Sat Dec 16 18:43:30 GMT 2023 , Edited by admin on Sat Dec 16 18:43:30 GMT 2023
PRIMARY
FDA UNII
AGK7AED6MA
Created by admin on Sat Dec 16 18:43:30 GMT 2023 , Edited by admin on Sat Dec 16 18:43:30 GMT 2023
PRIMARY
CAS
64037-52-1
Created by admin on Sat Dec 16 18:43:30 GMT 2023 , Edited by admin on Sat Dec 16 18:43:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY