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Substance Name: Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-((octyloxy)methyl)-, fumarate (2:1)
RN: 104450-50-2
InChIKey: BGJVXNVPDPZEMG-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H39-N-O4.1/2C4-H4-O4

Molecular Weight

  • 903.1998
 
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Names and Synonyms

Synonym

  • 4'-(2-Hydroxy-3-(isopropylamino)propoxy)-3'-((octyloxy)methyl)acetophenone fumarate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104450-50-2

System Generated Number

  • 0104450502

Molecular Formulas

Molecular Formula

  • C23-H39-N-O4.1/2C4-H4-O4

Molecular Formula Fragments

  • C23-H39-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H39NO4.C4H4O4/c2*1-5-6-7-8-9-10-13-27-16-21-14-20(19(4)25)11-12-23(21)28-17-22(26)15-24-18(2)3;5-3(6)1-2-4(7)8/h2*11-12,14,18,22,24,26H,5-10,13,15-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

BGJVXNVPDPZEMG-WXXKFALUSA-N

Smiles

CCCCCCCCOCc1cc(ccc1OCC(CNC(C)C)O)C(=O)C.CCCCCCCCOCc1cc(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 300mg/kg (300mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 2289, 1985.