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Substance Name: Dimethylthiambutene [INN:BAN:DCF]
RN: 524-84-5
UNII: 915D88LM9O
InChIKey: CANBGVXYBPOLRR-UHFFFAOYSA-N

Molecular Formula

  • C14-H17-N-S2

Molecular Weight

  • 263.427
 

Classification Codes

Classification Code

  • Analgesic

Superlist Classification Code

  • DEA Schedule I
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Names and Synonyms

Name of Substance

  • Dimethylthiambutene [INN:BAN:DCF]

Synonyms

  • 3-Dimethylamino-1,1-bis(2-thienyl)-1-butene
  • 3-Dimethylamino-1,1-di-(2'-thienyl)-1-butene
  • 338C48
  • 4-19-00-04147 (Beilstein Handbook Reference)
  • Allylamine, N,N,1-trimethyl-3,3-di-2-thienyl-
  • BRN 0084891
  • Dimethibutin
  • Dimethylthiambutene
  • Dimethylthiambutenum
  • Dimethylthiambutenum [INN-Latin]
  • Dimetiltiambutene
  • Dimetiltiambutene [DCIT]
  • Dimetiltiambuteno
  • Dimetiltiambuteno [INN-Spanish]
  • N,N,1-Trimethyl-3,3-di(2-thienyl)-2-propenylamine
  • N,N,1-Trimethyl-3,3-di-2-thienylallylamine
  • N,N-Dimethyl-(1,1-bis(2-thienyl)-1-buten-3-yl)amin
  • N,N-Dimethyl-4,4-di-2-thienyl-3-buten-2-amine
  • Ohton
  • UNII-915D88LM9O

Systematic Names

  • 3-Buten-2-amine, N,N-dimethyl-4,4-di-2-thienyl- (9CI)
  • 3-Dimethylamino-1,1-di-(2'-thienyl)-1-butene
  • Allylamine, 3,3-di-2-thienyl-N,N,1-trimethyl-

Superlist Names

  • DEA No. 9619
  • Dimethylthiambutene

Registry Numbers

CAS Registry Number

  • 524-84-5

FDA UNII

  • 915D88LM9O

System Generated Number

  • 0000524845

Structure Descriptors

InChI

1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3

InChIKey

CANBGVXYBPOLRR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 20mg/kg (20mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 7, Pg. 372, 1959.
mouse LD50 intraperitoneal 62mg/kg (62mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 74, Pg. 1026, 1954.
mouse LD50 subcutaneous 121mg/kg (121mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 7, Pg. 372, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.530 (none)   EST
Atmospheric OH Rate Constant 1.92E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.