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Substance Name: Acetophenone, 3'-((heptyloxy)methyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)
RN: 104450-48-8
InChIKey: HVGZIAILXZYDMX-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H37-N-O4.1/2C4-H4-O4

Molecular Weight

  • 875.1462
 
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Names and Synonyms

Synonym

  • 3'-((Heptyloxy)methyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)acetophenone fumarate (2:1)

Systematic Name

  • Acetophenone, 3'-((heptyloxy)methyl)-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, fumarate (2:1)

Registry Numbers

CAS Registry Number

  • 104450-48-8

System Generated Number

  • 0104450488

Molecular Formulas

Molecular Formula

  • C22-H37-N-O4.1/2C4-H4-O4

Molecular Formula Fragments

  • C22-H37-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H37NO4.C4H4O4/c2*1-5-6-7-8-9-12-26-15-20-13-19(18(4)24)10-11-22(20)27-16-21(25)14-23-17(2)3;5-3(6)1-2-4(7)8/h2*10-11,13,17,21,23,25H,5-9,12,14-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

HVGZIAILXZYDMX-WXXKFALUSA-N

Smiles

CCCCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)C.CCCCCCCOCc1cc(ccc1OCC(CNC(C)C)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 400mg/kg (400mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 2289, 1985.