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Substance Name: Phenol, 3-(1-butyl-3-isobutyl-3-pyrrolidinyl)-, citrate
RN: 37627-60-4
InChIKey: LGFOLNFGLDTRHB-UHFFFAOYSA-N

Molecular Formula

  • C18-H29-N-O.C6-H8-O7

Molecular Weight

  • 467.5553
 
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Names and Synonyms

Synonyms

  • 3-(1-Butyl-3-isobutyl-3-pyrrolidinyl)phenol citrate
  • Phenol, 2-(1,1-dimethylethyl)-4-methoxy-
  • Pyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-isobutyl-, citrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 37627-60-4

System Generated Number

  • 0037627604

Molecular Formulas

Molecular Formula

  • C18-H29-N-O.C6-H8-O7

Molecular Formula Fragments

  • C18-H29-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO.C6H8O7/c1-4-5-10-19-11-9-18(14-19,13-15(2)3)16-7-6-8-17(20)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,12,15,20H,4-5,9-11,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LGFOLNFGLDTRHB-UHFFFAOYSA-N

Smiles

CCCCN1CCC(C1)(CC(C)C)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 121mg/kg (121mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.