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Substance Name: 1-Pyrrolidinebutanol, alpha-(4-fluorophenyl)-, 3,4,5-trimethoxybenzoate, citrate
RN: 102584-34-9
InChIKey: YGUVQEHBJAHVGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-F-N-O5.C6-H8-O7

Molecular Weight

  • 623.6232
 
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Names and Synonyms

Synonyms

  • 1-(4'-Fluorofenil)-4-pirrolidinobutanolo-(1),3',4',5'-trimetossibenzoato citrato
  • 1-(4'-Fluorofenil)-4-pirrolidinobutanolo-(1),3',4',5'-trimetossibenzoato citrato [Italian]
  • alpha-(4-Fluorophenyl)-1-pyrrolidinebutanol 3,4,5-trimethoxybenzoate citrate

Systematic Name

  • 1-Pyrrolidinebutanol, alpha-(4-fluorophenyl)-, 3,4,5-trimethoxybenzoate, citrate

Registry Numbers

CAS Registry Number

  • 102584-34-9

System Generated Number

  • 0102584349

Molecular Formulas

Molecular Formula

  • C24-H30-F-N-O5.C6-H8-O7

Molecular Formula Fragments

  • C24-H30-F-N-O5
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30FNO5.C6H8O7/c1-28-21-15-18(16-22(29-2)23(21)30-3)24(27)31-20(17-8-10-19(25)11-9-17)7-6-14-26-12-4-5-13-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,15-16,20H,4-7,12-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

YGUVQEHBJAHVGX-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)OC(CCCN2CCCC2)c3ccc(cc3)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 442, 1976.