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Substance Name: Morphinan-3-ol, 17-(4-phenylbutyl)-, tartrate, (-)-
RN: 63868-21-3
InChIKey: XEEHZVDPOLUQNX-WPZRWFQASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H33-N-O.C4-H6-O6

Molecular Weight

  • 525.6381
 
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Names and Synonyms

Synonym

  • (-)-17-(4-Phenylbutyl)morphinan-3-ol tartrate

Systematic Name

  • Morphinan-3-ol, 17-(4-phenylbutyl)-, tartrate, (-)-

Registry Numbers

CAS Registry Number

  • 63868-21-3

System Generated Number

  • 0063868213

Molecular Formulas

Molecular Formula

  • C26-H33-N-O.C4-H6-O6

Molecular Formula Fragments

  • C26-H33-N-O
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33NO.C4H6O6/c28-22-13-12-21-18-25-23-11-4-6-14-26(23,24(21)19-22)15-17-27(25)16-7-5-10-20-8-2-1-3-9-20;5-1(3(7)8)2(6)4(9)10/h1-3,8-9,12-13,19,23,25,28H,4-7,10-11,14-18H2;1-2,5-6H,(H,7,8)(H,9,10)/t23-,25+,26+;1-,2-/m01/s1

InChIKey

XEEHZVDPOLUQNX-WPZRWFQASA-N

Smiles

c1ccc(cc1)CCCCN2CC[C@]34CCCC[C@H]3[C@H]2Cc5c4cc(cc5)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 358mg/kg (358mg/kg)   "Synthetic Analgesics," Oxford, Pergamon Press, 1966Vol. 2, Pg. 83, 1966.
mouse LD50 subcutaneous > 400mg/kg (400mg/kg)   "Synthetic Analgesics," Oxford, Pergamon Press, 1966Vol. 2, Pg. 83, 1966.