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Substance Name: Morphinan-4,6-beta,14-triol, 3-methoxy-, acetate, hemihydrate
RN: 102043-47-0
InChIKey: KWOXKGFFYRSDBL-ZJVZXTIPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O4.C2-H4-O2.1/2H2-O

Molecular Weight

  • 365.4233
 
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Names and Synonyms

Synonyms

  • 3-Methoxy-morphinan-4,6-beta,14-triol acetate hemihydrate
  • N-Nor-14-hydroxy-dihydro-6-beta-thebainol acetate hemihydrate

Systematic Name

  • Morphinan-4,6-beta,14-triol, 3-methoxy-, acetate, hemihydrate

Registry Numbers

CAS Registry Number

  • 102043-47-0

System Generated Number

  • 0102043470

Molecular Formulas

Molecular Formula

  • C17-H23-N-O4.C2-H4-O2.1/2H2-O

Molecular Formula Fragments

  • C17-H23-N-O4
  • C2-H4-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H23NO4.C2H4O2/c1-22-12-3-2-10-8-13-17(21)5-4-11(19)9-16(17,6-7-18-13)14(10)15(12)20;1-2(3)4/h2-3,11,13,18-21H,4-9H2,1H3;1H3,(H,3,4)/t11-,13-,16-,17-;/m1./s1

InChIKey

KWOXKGFFYRSDBL-ZJVZXTIPSA-N

Smiles

CC(=O)O.COc1ccc2c(c1O)[C@]34CCN[C@H](C2)[C@@]3(CC[C@H](C4)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 780mg/kg (780mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ANALGESIA
Chemical and Pharmaceutical Bulletin. Vol. 19, Pg. 1, 1971.