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Substance Name: 1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 152271-10-8
InChIKey: CUDVCTHRAMFFPA-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H62-N2-O8.C4-H4-O4

Molecular Weight

  • 815.0074
 
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Names and Synonyms

  • 1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 152271-10-8

System Generated Number

  • 0152271108

Molecular Formulas

Molecular Formula

  • C40-H62-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C40-H62-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H31NO4.C4H4O4/c2*1-3-11-24-14-17-12-16(19(23)4-2)7-8-20(17)25-15-18(22)13-21-9-5-6-10-21;5-3(6)1-2-4(7)8/h2*7-8,12,18,22H,3-6,9-11,13-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

CUDVCTHRAMFFPA-WXXKFALUSA-N

Smiles

CCCOCc1cc(ccc1OCC(CN2CCCC2)O)C(=O)CC.CCCOCc1cc(ccc1OCC(CN2CCCC2)O)C(=O)CC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Cesko-Slovenska Farmacie. Vol. 42, Pg. 82, 1993.