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Substance Name: Phenol, 3-(1-methyl-3-isobutyl-3-pyrrolidinyl)-, citrate
RN: 64047-75-2
InChIKey: RNDKQIXCSIQWBQ-UHFFFAOYSA-N

Molecular Formula

  • C15-H23-N-O.C6-H8-O7

Molecular Weight

  • 425.475
 
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Names and Synonyms

Synonyms

  • 3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate
  • Pyrrolidine, 3-(m-hydroxyphenyl)-3-isobutyl-1-methyl-, citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-75-2

System Generated Number

  • 0064047752

Molecular Formulas

Molecular Formula

  • C15-H23-N-O.C6-H8-O7

Molecular Formula Fragments

  • C15-H23-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO.C6H8O7/c1-12(2)10-15(7-8-16(3)11-15)13-5-4-6-14(17)9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9,12,17H,7-8,10-11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RNDKQIXCSIQWBQ-UHFFFAOYSA-N

Smiles

c1(cccc(O)c1)[C@@]1(C[N@@](C)CC1)CC(C)C.C(CC(=O)O)(C(O)=O)(CC(O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 137mg/kg (137mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.