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Substance Name: Phenol, 3-(3-propyl-3-pyrrolidinyl)-, citrate
RN: 64047-84-3
InChIKey: URBSUEFWONMSAS-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-N-O.C6-H8-O7

Molecular Weight

  • 397.421
 
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Names and Synonyms

Synonyms

  • 3-(3-Propyl-3-pyrrolidinyl)phenol citrate
  • Pyrrolidine, 3-(m-hydroxyphenyl)-3-propyl-, citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-84-3

System Generated Number

  • 0064047843

Molecular Formulas

Molecular Formula

  • C13-H18-N-O.C6-H8-O7

Molecular Formula Fragments

  • C13-H18-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19NO.C6H8O7/c1-2-6-13(7-8-14-10-13)11-4-3-5-12(15)9-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,9,14-15H,2,6-8,10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

URBSUEFWONMSAS-UHFFFAOYSA-N

Smiles

c1([C@@]2(CNCC2)CCC)cc(ccc1)O.C(CC(=O)O)(C(O)=O)(CC(O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 119mg/kg (119mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.