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Substance Name: 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate
RN: 58562-61-1
InChIKey: QGDMEVRYGCNBTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-S.C6-H8-O7

Molecular Weight

  • 502.585
 
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Names and Synonyms

Synonyms

  • alpha-(Phenylmethyl)-alpha-2-thienyl-1-pyrrolidinebutanenitrile citrate
  • Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate
  • Benzyl-2 (pyrrolidinyl-1')-4 (thienyl-2'')-2 butyronitrile citrate [French]

Systematic Name

  • 1-Pyrrolidinebutyronitrile, alpha-(phenylmethyl)-alpha-2-thienyl-, citrate

Registry Numbers

CAS Registry Number

  • 58562-61-1

System Generated Number

  • 0058562611

Molecular Formulas

Molecular Formula

  • C19-H22-N2-S.C6-H8-O7

Molecular Formula Fragments

  • C19-H22-N2-S
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2S.C6H8O7/c20-16-19(18-9-6-14-22-18,10-13-21-11-4-5-12-21)15-17-7-2-1-3-8-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,6-9,14H,4-5,10-13,15H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

QGDMEVRYGCNBTP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC(CCN2CCCC2)(C#N)c3cccs3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 379, 1977.
mouse LD50 oral 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 379, 1977.