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Substance Name: Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citrate
RN: 37627-57-9
InChIKey: GWMRNMIERPZKMM-UHFFFAOYSA-N

Molecular Formula

  • C17-H27-N-O.C6-H8-O7

Molecular Weight

  • 453.5285
 
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Names and Synonyms

Synonyms

  • 3-(1-Butyl-3-propyl-3-pyrrolidinyl)phenol citrate
  • Pyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-propyl-, citrate

Systematic Name

  • Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citrate

Registry Numbers

CAS Registry Number

  • 37627-57-9

System Generated Number

  • 0037627579

Molecular Formulas

Molecular Formula

  • C17-H27-N-O.C6-H8-O7

Molecular Formula Fragments

  • C17-H27-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO.C6H8O7/c1-3-5-11-18-12-10-17(14-18,9-4-2)15-7-6-8-16(19)13-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,13,19H,3-5,9-12,14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

GWMRNMIERPZKMM-UHFFFAOYSA-N

Smiles

CCCCN1CCC(C1)(CCC)c2cccc(c2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 52mg/kg (52mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.