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Substance Name: Ethanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 152270-98-9
InChIKey: VHEUZUDESDMICS-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H58-N2-O8.C4-H4-O4

Molecular Weight

  • 762.9318
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 152270-98-9

System Generated Number

  • 0152270989

Molecular Formulas

Molecular Formula

  • C36-H58-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C36-H58-N2-O8
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H29NO4.C4H4O4/c2*1-4-8-19-11-17(21)13-23-18-7-6-15(14(3)20)10-16(18)12-22-9-5-2;5-3(6)1-2-4(7)8/h2*6-7,10,17,19,21H,4-5,8-9,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

VHEUZUDESDMICS-WXXKFALUSA-N

Smiles

CCCNCC(COc1ccc(cc1COCCC)C(=O)C)O.CCCNCC(COc1ccc(cc1COCCC)C(=O)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 500mg/kg (500mg/kg)   Cesko-Slovenska Farmacie. Vol. 42, Pg. 82, 1993.