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Substance Name: 1-Propanone, 1-(3-(butoxymethyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)
RN: 127627-21-8
InChIKey: KZLPTAVHELNHIS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H66-N2-O8.C4-H4-O4

Molecular Weight

  • 467.5553
 
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Names and Synonyms

Synonym

  • 1-(3-(Butoxymethyl)-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)

Systematic Name

  • 1-Propanone, 1-(3-(butoxymethyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 127627-21-8

System Generated Number

  • 0127627218

Molecular Formulas

Molecular Formula

  • C40-H66-N2-O8.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C40-H66-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C20H33NO4.C4H4O4/c1-5-7-10-24-13-17-11-16(19(23)6-2)8-9-20(17)25-14-18(22)12-21-15(3)4;5-3(6)1-2-4(7)8/h8-9,11,15,18,21-22H,5-7,10,12-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KZLPTAVHELNHIS-WLHGVMLRSA-N

Smiles

CCCCOCc1cc(ccc1OCC(CNC(C)C)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 100mg/kg (100mg/kg)   Pharmazie. Vol. 45, Pg. 142, 1990.