Quinolinium, 6-(p-acetamidobenzamido)-2-(p-aminostyryl)-1-methyl-, acetate

CAS 3432-10-8 MFCD01685366

化学结构图

3432-10-8
SMILES: CC(=O)Nc1ccc(C(=O)Nc2ccc3c(ccc(/C=C/c4ccc(N)cc4)[n+]3C)c2)cc1.CC(=O)[O-]

化学属性

Mol. FormulaC27H25N4O2.C2H3O2
Mol. Weight496.61

别名和识别编码

Chemical NameQuinolinium, 6-(p-acetamidobenzamido)-2-(p-aminostyryl)-1-methyl-, acetate
InChIKeyJQGGETYSKKLIID-UHFFFAOYSA-N
Wiswesser Line NotationT66 BKJ B1 C1U1R DZ& HMVR DMV1 &OV1
Synonym 2-(p-Aminostyryl)-6-(p-acetylaminobenzoylamino)quinoline methoacetate 6-(p-Acetamidobenzamido)-2-(p-aminostyryl)-1-methylquinolinium acetate Estiril 430 2-(p-Aminoestiril)-6-(p-acetil-amino-benzoil-amino)quinoleina metacetato Quinolinium,
CAS Number3432-10-8
PubChem Substance ID92957
InChIInChI=1S/C27H24N4O2.C2H4O2/c1-18(32)29-23-11-6-20(7-12-23)27(33)30-24-13-16-26-21(17-24)8-15-25(31(26)2)14-5-19-3-9-22(28)10-4-19;1-2(3)4/h3-17,28H,1-2H3,(H2,29,30,32,33);1H3,(H,3,4)
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安全信息

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 667 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   TICBA8 Trabajos del Instituto Cajal de Investigaciones Biologicas. (Madrid,
   Spain) V.32-70, 1940-79.  Volume(issue)/page/year: 40,229,1948

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 268 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JPBAA7 Journal of Pathology and Bacteriology.  (London, UK)  V.1-96,
   1892-1968.  For publisher information, see JPTLAS. Volume(issue)/page/year:
   42,155,1936

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JPBAA7 Journal of Pathology and Bacteriology.  (London, UK)  V.1-96,
   1892-1968.  For publisher information, see JPTLAS. Volume(issue)/page/year:
   47,155,1938

RTECSVC3500000 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 pph
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 142,453,1948

系列性分类

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