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Substance Name: S-Metazocine
RN: 71780-68-2
InChIKey: FBOLBXDDFDCXAF-MGOZJQFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O-S.C4-H4-O4.H2-O

Molecular Weight

  • 467.5831
 
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Names and Synonyms

Results Name

  • S-Metazocine

Synonym

  • S-Metazocine

Systematic Name

  • Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E)-2-butenedioate (1:1), hydrate

Registry Numbers

CAS Registry Number

  • 71780-68-2

System Generated Number

  • 0071780682

Molecular Formulas

Molecular Formula

  • C22-H25-N-O-S.C4-H4-O4.H2-O

Molecular Formula Fragments

  • C22-H25-N-O-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H25NOS.C4H4O4/c1-15-20-13-17-9-10-18(25-21(24)16-7-5-4-6-8-16)14-19(17)22(15,2)11-12-23(20)3;5-3(6)1-2-4(7)8/h4-10,14-15,20H,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,20+,22+;/m0./s1

InChIKey

FBOLBXDDFDCXAF-MGOZJQFCSA-N

Smiles

C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(CCN2C)C)SC(=O)c4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1656, 1985.