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Substance Name: Acetophenone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-3'-(isopropoxymethyl)-, fumarate (2:1)
RN: 104450-42-2
InChIKey: CILHTTWGTPFGKD-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O4.1/2C4-H4-O4

Molecular Weight

  • 762.9318
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104450-42-2

System Generated Number

  • 0104450422

Molecular Formulas

Molecular Formula

  • C18-H29-N-O4.1/2C4-H4-O4

Molecular Formula Fragments

  • C18-H29-N-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

CILHTTWGTPFGKD-WXXKFALUSA-N

Smiles

CC(C)NCC(COc1ccc(cc1COC(C)C)C(=O)C)O.CC(C)NCC(COc1ccc(cc1COC(C)C)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)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 2289, 1985.