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Substance Name: Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(ethoxymethyl)-, fumarate (2:1)
RN: 104450-35-3
InChIKey: WNPNBIYWPXIIHU-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'-(3-(tert-Butylamino)-2-hydroxypropoxy)-3'-(ethoxmethyl)acetophenone fumarate (2:1)

Systematic Name

  • Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(ethoxymethyl)-, fumarate (2:1)

Registry Numbers

CAS Registry Number

  • 104450-35-3

System Generated Number

  • 0104450353

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

InChIKey

WNPNBIYWPXIIHU-WXXKFALUSA-N

Smiles

CCOCc1cc(ccc1OCC(CNC(C)(C)C)O)C(=O)C.CCOCc1cc(ccc1OCC(CNC(C)(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.