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

CAS 71780-68-2 MFCD01656854

化学结构图

71780-68-2
SMILES: O.C[C@@H]1[C@@H]2CC3C=CC(=CC=3[C@@]1(C)CCN2C)SC(=O)C1C=CC=CC=1.OC(=O)/C=C/C(O)=O |&1:2,3,11|

化学属性

Mol. FormulaC22H25NOS.C4H4O4.H2O
Mol. Weight485.64

别名和识别编码

Chemical NameBenzenecarbothioic 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
Synonym S-Metazocine
CAS Number71780-68-2
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安全信息

RTECSCY5970000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 28,1656,1985

系列性分类

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