Methyl (1S,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate 榴花碱

CAS 76-98-2 MFCD N/A

化学结构图

76-98-2
SMILES: CCC1CC2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C(C(=O)OC)(C2)C13

化学属性

Mol. FormulaC23H30N2O4
Mol. Weight398.55

别名和识别编码

Chemical NameConopharyngine
Synonym 18-Carbomethoxy-12,13-dimethoxyibogamine Conopharyngine (iboga) Ibogamine-18-carboxylic acid, 12,13-dimethoxy-, methyl ester conopharyngine
CAS Number76-98-2
Beilstein Registry Number0060123
Chemical Name Translation榴花碱
Chemicalbook IDCB02392422
InChIKeyDUFLXLVGASPEMV-KDWZXYONSA-N
PubChem Substance ID12303870
InChIInChI=1S/C23H30N2O4/c1-5-14-8-13-11-23(22(26)29-4)20-15(6-7-25(12-13)21(14)23)16-9-18(27-2)19(28-3)10-17(16)24-20/h9-10,13-14,21,24H,5-8,11-12H2,1-4H3/t13-,14+,21+,23-/m1/s1
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安全信息

RTECSGL1400000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 30,173,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 143 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 30,173,1967

系列性分类

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