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Substance Name: Phenol, 3-(1-methyl-3-neopentyl-3-pyrrolidinyl)-, citrate
RN: 64047-76-3
InChIKey: VIMRBTYCYJDBQL-UHFFFAOYSA-N

Molecular Formula

  • C16-H25-N-O.C6-H8-O7

Molecular Weight

  • 439.502
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 64047-76-3

System Generated Number

  • 0064047763

Molecular Formulas

Molecular Formula

  • C16-H25-N-O.C6-H8-O7

Molecular Formula Fragments

  • C16-H25-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO.C6H8O7/c1-15(2,3)11-16(8-9-17(4)12-16)13-6-5-7-14(18)10-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10,18H,8-9,11-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

VIMRBTYCYJDBQL-UHFFFAOYSA-N

Smiles

c1(cccc(c1)O)[C@@]1(C[N@@](C)CC1)CC(C)(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 129mg/kg (129mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 687, 1972.