Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, diethanesulfonate

CAS 1674-48-2 MFCD N/A

化学结构图

1674-48-2
SMILES: CCS(=O)(=O)O.CCS(=O)(=O)O.COc1cc(C(=O)OCCN2CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)cc(OC)c1OC

化学属性

Mol. Weight816.47
Mol. FormulaC31H36ClN3O5S.C4H10O6S2

别名和识别编码

Synonym Methophenazine diethanesulfonate
Wiswesser Line NotationT C666 BN ISJ EG B3- CT6M DNTJ D2OVR CO1 DO1 EO1&OSW2 2
Chemical NameBenzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, diethanesulfonate
CAS Number1674-48-2
PubChem Substance ID15482
InChIInChI=1S/C31H36ClN3O5S.2C2H6O3S/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*1-2-6(3,4)5/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*2H2,1H3,(H,3,4,5)
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安全信息

RTECSDH9625000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 82 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
   D.H. Efron, Washington, DC, 1972  Volume(issue)/page/year: -,30,1972

系列性分类

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