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Substance Name: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-furanylmethyl)-, (2R-(2-alpha,6-alpha,11R*))-, methanesulfonate (salt)
RN: 61849-16-9
InChIKey: NEKLQWOUWDQMSJ-RNZCLEDWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2.C-H4-O3-S

Molecular Weight

  • 393.5013
 
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Names and Synonyms

Synonyms

  • (-)-2-(3-Furylmethyl)-2'-hydroxy-5,9-alpha-dimethyl-6,7-benzomorphan-methansulfonat
  • (-)-2-(3-Furylmethyl)-2'-hydroxy-5,9-alpha-dimethyl-6,7-benzomorphan-methansulfonat [German]
  • MR 1452 MS
  • NIH 8859
  • UM 979

Systematic Names

  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-furanylmethyl)-, (2R-(2-alpha,6-alpha,11R*))-, methanesulfonate (salt)
  • 2,6-Methano-3-benzazocin-8-ol, 3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,6R,11R)-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 61849-16-9

System Generated Number

  • 0061849169

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H23-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2.CH4O3S/c1-13-18-9-15-3-4-16(21)10-17(15)19(13,2)6-7-20(18)11-14-5-8-22-12-14;1-5(2,3)4/h3-5,8,10,12-13,18,21H,6-7,9,11H2,1-2H3;1H3,(H,2,3,4)/t13-,18+,19+;/m0./s1

InChIKey

NEKLQWOUWDQMSJ-RNZCLEDWSA-N

Smiles

C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(CCN2Cc4ccoc4)C)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 110mg/kg (110mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 2009, 1976.