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Substance Name: Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, citrate
RN: 64047-77-4
InChIKey: GTEALFBGGWYLJS-UHFFFAOYSA-N

Molecular Formula

  • C14-H21-N-O.C6-H8-O7

Molecular Weight

  • 411.448
 
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Names and Synonyms

Synonyms

  • 3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol citrate
  • Pyrrolidine, 3-(5-hydroxyphenyl)-1-methyl-3-propyl-, citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-77-4

System Generated Number

  • 0064047774

Molecular Formulas

Molecular Formula

  • C14-H21-N-O.C6-H8-O7

Molecular Formula Fragments

  • C14-H21-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO.C6H8O7/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10,16H,3,7-9,11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

GTEALFBGGWYLJS-UHFFFAOYSA-N

Smiles

c1(cccc(c1)O)[C@@]1(C[N@@](CC1)C)CCC.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 83mg/kg (83mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.