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Substance Name: 1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4,12-trimethyl-, (1-alpha,6-alpha,12S*)-, lactate
RN: 59122-70-2
InChIKey: LQQWCNRDVMYWMG-DCVVAIBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O.C3-H6-O3

Molecular Weight

  • 335.4411
 
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Names and Synonyms

Synonym

  • 1,4,12-alpha-Trimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1H-4-benzazonine lactate

Systematic Name

  • 1,6-Methano-1H-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4,12-trimethyl-, (1-alpha,6-alpha,12S*)-, lactate

Registry Numbers

CAS Registry Number

  • 59122-70-2

System Generated Number

  • 0059122702

Molecular Formulas

Molecular Formula

  • C16-H23-N-O.C3-H6-O3

Molecular Formula Fragments

  • C16-H23-N-O
  • C3-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO.C3H6O3/c1-11-13-8-12-4-5-14(18)9-15(12)16(11,2)6-7-17(3)10-13;1-2(4)3(5)6/h4-5,9,11,13,18H,6-8,10H2,1-3H3;2,4H,1H3,(H,5,6)/t11-,13+,16+;/m0./s1

InChIKey

LQQWCNRDVMYWMG-DCVVAIBKSA-N

Smiles

C[C@H]1[C@@H]2Cc3ccc(cc3[C@@]1(CCN(C2)C)C)O.CC(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 19, Pg. 803, 1976.