o-Toluic acid, 5-bis(2-chloroethyl)amino-

CAS 5977-36-6 MFCD01679591

化学结构图

5977-36-6
SMILES: Cc1ccc(N(CCCl)CCCl)cc1C(=O)O

化学属性

Mol. FormulaC12H15Cl2NO2
Mol. Weight276.18

别名和识别编码

Chemical Nameo-Toluic acid, 5-bis(2-chloroethyl)amino-
InChIKeyCGKKAGUCZCKFJI-UHFFFAOYSA-N
Wiswesser Line NotationQVR B1 EN2G2G
Synonym 5-Bis(2-chloroethyl)amino-o-toluic acid Benzoic acid, 5-bis(2-chloroethyl)amino-2-methyl- Acidul 5,N,N-di-(2-cloretil)amino-2-metilbenzoic 5-Bis(2-chloroethyl)amino-2-methylbenzoic acid
Beilstein Registry Number3119531
CAS Number5977-36-6
PubChem Substance ID145818
InChIInChI=1S/C12H15Cl2NO2/c1-9-2-3-10(8-11(9)12(16)17)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)
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安全信息

RTECSXU1590000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 62 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRMBAZ Farmacia (Bucharest).  (Rompresfilatelia, POB 12-201, Bucharest,
   Romania)  V.1-    1953-  Volume(issue)/page/year: 15,103,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 62 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
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: 11,500,1968

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1200 nmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 346,129,1995

系列性分类

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