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Substance Name: 1-Propanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 152271-02-8
InChIKey: SUNPDQIUTKYQKP-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H62-N2-O8.C4-H4-O4

Molecular Weight

  • 790.9854
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 152271-02-8

System Generated Number

  • 0152271028

Molecular Formulas

Molecular Formula

  • C38-H62-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C38-H62-N2-O8
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H31NO4.C4H4O4/c2*1-4-9-20-12-17(21)14-24-19-8-7-15(18(22)6-3)11-16(19)13-23-10-5-2;5-3(6)1-2-4(7)8/h2*7-8,11,17,20-21H,4-6,9-10,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

SUNPDQIUTKYQKP-WXXKFALUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 100mg/kg (100mg/kg)   Cesko-Slovenska Farmacie. Vol. 42, Pg. 82, 1993.