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Substance Name: 2-Thiopheneacetic acid, alpha-2-cyclohexen-1-yl-, 2-diisopropylaminoethyl ester, hydrochloride
RN: 102370-97-8
InChIKey: IMMNYBXOHBGVBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2-S.Cl-H

Molecular Weight

  • 385.9968
 
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Names and Synonyms

Synonyms

  • alpha-2-Cyclohexen-1-yl-2-thiopheneacetic acid 2-diisopropylaminoethyl ester hydrochloride
  • beta-Diisopropylaminoethyl alpha-(2-cyclohexenyl)-alpha-(2-thienyl)-acetate hydrochloride

Systematic Name

  • 2-Thiopheneacetic acid, alpha-2-cyclohexen-1-yl-, 2-diisopropylaminoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102370-97-8

System Generated Number

  • 0102370978

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2-S.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2S.ClH/c1-15(2)21(16(3)4)12-13-23-20(22)19(18-11-8-14-24-18)17-9-6-5-7-10-17;/h6,8-9,11,14-17,19H,5,7,10,12-13H2,1-4H3;1H

InChIKey

IMMNYBXOHBGVBQ-UHFFFAOYSA-N

Smiles

C([C@@H](c1cccs1)[C@@H]1C=CCCC1)(=O)OCCN(C(C)C)C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62800ug/kg (62.8mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 578, 1956.
mouse LD50 oral 1450mg/kg (1450mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 578, 1956.