(Z)-But-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one

CAS 1061-06-9 MFCD01061069

化学结构图

1061-06-9
SMILES: O=C(O)C=CC(=O)O.O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCN1CCCC1

化学属性

Mol. Weight483.99
Mol. FormulaC21H22ClN3O.C4H4O4

别名和识别编码

Wiswesser Line NotationT67 GNV JN IHJ CG KR& G2- AT5NTJ &QV1U1VQ -C
Chemical Name2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
CAS Number1061-06-9
InChIKeyVEJFIAKAVCZVAI-BTJKTKAUSA-N
PubChem Substance ID6433231
InChIInChI=1S/C21H22ClN3O.C4H4O4/c22-17-8-9-19-18(14-17)21(16-6-2-1-3-7-16)23-15-20(26)25(19)13-12-24-10-4-5-11-24;5-3(6)1-2-4(7)8/h1-3,6-9,14H,4-5,10-13,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
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安全信息

RTECSDF2375500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 177 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
   Behavioral - anticonvulsant
   Behavioral - somnolence (general depressed activity)
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: 8,815,1965

系列性分类

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