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Substance Name: 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, 3,4,5-trimethoxybenzoate (ester), maleate (1:1)
RN: 21269-15-8
InChIKey: MHKDHMBXZVKPMG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O7.C4-H4-O4

Molecular Weight

  • 561.581
 
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Names and Synonyms

Synonym

  • 3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol 3,4,5-trimethoxybenzoate (ester) maleate (1:1)

Systematic Name

  • 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, 3,4,5-trimethoxybenzoate (ester), maleate (1:1)

Registry Numbers

CAS Registry Number

  • 21269-15-8

System Generated Number

  • 0021269158

Molecular Formulas

Molecular Formula

  • C24-H31-N-O7.C4-H4-O4

Molecular Formula Fragments

  • C24-H31-N-O7
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO7.C4H4O4/c1-27-19-8-5-6-9-20(19)32-18-10-12-25(16-18)11-7-13-31-24(26)17-14-21(28-2)23(30-4)22(15-17)29-3;5-3(6)1-2-4(7)8/h5-6,8-9,14-15,18H,7,10-13,16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MHKDHMBXZVKPMG-WLHGVMLRSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.C(c1cc(c(c(c1)OC)OC)OC)(=O)OCCC[N@@]1C[C@@H](CC1)Oc1c(cccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 12, Pg. 442, 1969.