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Substance Name: 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride
RN: 100482-69-7
InChIKey: STWXENLYPFHFNP-RSGUCCNWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O-S.Cl-H

Molecular Weight

  • 333.881
 
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Names and Synonyms

Synonym

  • 1-Phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-3-buten-2-one hydrochloride

Systematic Name

  • 3-Buten-2-one, 1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100482-69-7

System Generated Number

  • 0100482697

Molecular Formulas

Molecular Formula

  • C18-H19-N-O-S.Cl-H

Molecular Formula Fragments

  • C18-H19-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NOS.ClH/c20-16(10-13-19-11-4-5-12-19)18(17-9-6-14-21-17)15-7-2-1-3-8-15;/h1-3,6-10,13-14,18H,4-5,11-12H2;1H/b13-10+;

InChIKey

STWXENLYPFHFNP-RSGUCCNWSA-N

Smiles

c1([C@@H](c2cccs2)C(\C=C\[N+]2CCCC2)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC
Chimica Therapeutica. Vol. 1, Pg. 35, 1965.