[(1S,3R,5R)-2-[4-[4-[(1R,3S,5R)-8,8-Dimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-8-azoniabicyclo[3.2.1]octan-2-yl]phenyl]phenyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate;dibromide

CAS 379-84-0 MFCD N/A

化学结构图

379-84-0
SMILES: CC=C(C)C(=O)OC1CC2CCC(C1c1ccc(-c3ccc(C4C(OC(=O)C(C)=CC)CC5CCC4[N+]5(C)C)cc3)cc1)[N+]2(C)C.[Br-].[Br-]

化学属性

Mol. Weight786.78
Mol. FormulaC40H54N2O4.2Br

别名和识别编码

Synonym Biphenylene-(4,4')-bis-methyl-(3-beta-tigloyloxy)-tropaniumbromid SM 152
Wiswesser Line NotationT56 A AKTJ A1 GOVY1&U2 A1R DR D1- AT56 A AKTJ A1GOVY1&U2 &E 2
Chemical NameSM 152
CAS Number379-84-0
InChIKeyIVDALHJFWPMBBM-CBUIDGLSSA-L
PubChem Substance ID24847373
InChIInChI=1S/C40H54N2O4.2BrH/c1-9-25(3)39(43)45-35-23-31-19-21-33(41(31,5)6)37(35)29-15-11-27(12-16-29)28-13-17-30(18-14-28)38-34-22-20-32(42(34,7)8)24-36(38)46-40(44)26(4)10-2;;/h9-18,31-38H,19-24H2,1-8H3;2*1H/q+2;;/p-2/b25-9+,26-10+;;/t31-,32-,33-,34+,35+,36-,37?,38?;;/m1../s1
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安全信息

RTECSYM3403500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 ug/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 15,130,1965

系列性分类

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