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Substance Name: Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 152271-08-4
InChIKey: LAOCGLYVYUMEOP-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H58-N2-O8.C4-H4-O4

Molecular Weight

  • 786.9538
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 152271-08-4

System Generated Number

  • 0152271084

Molecular Formulas

Molecular Formula

  • C38-H58-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C38-H58-N2-O8
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H29NO4.C4H4O4/c2*1-3-10-23-13-17-11-16(15(2)21)6-7-19(17)24-14-18(22)12-20-8-4-5-9-20;5-3(6)1-2-4(7)8/h2*6-7,11,18,22H,3-5,8-10,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

LAOCGLYVYUMEOP-WXXKFALUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 50mg/kg (50mg/kg)   Cesko-Slovenska Farmacie. Vol. 42, Pg. 82, 1993.