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Substance Name: Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, nicotinate (ester), tartrate, (-)-
RN: 63867-89-0
InChIKey: GZRNICQZQQPNQD-CNAYQSEPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C27-H32-N2-O2.C4-H6-O6

Molecular Weight

  • 566.6472
 
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Names and Synonyms

Synonym

  • Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, 3-pyridinecarboxylate (ester), tartrate, (-)-

Systematic Name

  • Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, nicotinate (ester), tartrate, (-)-

Registry Numbers

CAS Registry Number

  • 63867-89-0

System Generated Number

  • 0063867890

Molecular Formulas

Molecular Formula

  • C27-H32-N2-O2.C4-H6-O6

Molecular Formula Fragments

  • C27-H32-N2-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32N2O2.C4H6O6/c1-19(2)11-15-29-16-13-27-12-5-3-7-22(27)25(29)17-20-9-10-21(18-23(20)27)31-26(30)24-8-4-6-14-28-24;5-1(3(7)8)2(6)4(9)10/h4,6,8-11,14,18,22,25H,3,5,7,12-13,15-17H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t22-,25+,27+;1-,2-/m01/s1

InChIKey

GZRNICQZQQPNQD-CNAYQSEPSA-N

Smiles

CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc4c3cc(cc4)OC(=O)c5ccccn5)C.[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 intravenous 40mg/kg (40mg/kg)   "Synthetic Analgesics," Oxford, Pergamon Press, 1966Vol. 2, Pg. 81, 1966.