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Substance Name: Thiambutene hydrochloride
RN: 132-19-4
UNII: 3L46E90B1X
InChIKey: AOBYZQVXPIBGCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-S2.Cl-H

Molecular Weight

  • 327.942
 
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Names and Synonyms

Results Name

  • Thiambutene hydrochloride

Name of Substance

  • Diethylthiambutene hydrochloride

Synonyms

  • 191C49
  • 3-Diethylamino-1,1-di(2'-thienyl)but-1-ene hydrochloride
  • Diethibutin hydrochloride
  • Diethylthiambutene hydrochloride
  • EINECS 205-050-9
  • N,N-Diethyl-1-methyl-3,3-di-2-thienylallylamine hydrochloride
  • NIH 4185
  • Themalon hydrochloride
  • Thiambutene HCl
  • Thiambutene hydrochloride
  • UNII-3L46E90B1X

Systematic Names

  • 3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (9CI)
  • Allylamine, N,N-diethyl-3,3-di-2-thienyl-1-methyl-, hydrochloride
  • Di(ethyl)(1-methyl-3,3-di(thien-2-yl)allyl)ammonium chloride

Registry Numbers

CAS Registry Number

  • 132-19-4

FDA UNII

  • 3L46E90B1X

Related Registry Number

  • 86-14-6 (Parent)

System Generated Number

  • 0000132194

Molecular Formulas

Molecular Formula

  • C16-H21-N-S2.Cl-H

Molecular Formula Fragments

  • C16-H21-N-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H

InChIKey

AOBYZQVXPIBGCZ-UHFFFAOYSA-N

Smiles

C(\c1cccs1)(c1cccs1)=C/[C@@H](N(CC)CC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg) BEHAVIORAL: ANALGESIA

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: EXCITEMENT
British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953.
mouse LD50 subcutaneous 81mg/kg (81mg/kg) BEHAVIORAL: EXCITEMENT

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: ANALGESIA
British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953.
rat LD50 subcutaneous 45mg/kg (45mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
British Journal of Pharmacology and Chemotherapy. Vol. 8, Pg. 2, 1953.