4-N-Bis(2-chloroethyl)aminobenzoic acid

CAS 1141-37-3 MFCD00043500

化学结构图

1141-37-3
SMILES: O=C(O)c1ccc(N(CCCl)CCCl)cc1

化学属性

Mol. FormulaC11H13Cl2NO2
Mol. Weight262.15

别名和识别编码

Chemical Name4-N-Bis(2-chloroethyl)aminobenzoic acid
Wiswesser Line NotationQVR DN2G2G
Synonym 4-(Bis(2-chloroethyl)amino)benzoic acid 4-N-bis(2-chloroethyl)aminobenzoic acid Benzoic acid, 4-(bis(2-chloroethyl)amino)-
CAS Number1141-37-3
Beilstein Registry Number0988858
InChIKeyPCLQMXVMRDPVKX-UHFFFAOYSA-N
PubChem Substance ID14356
InChIInChI=1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
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安全信息

RTECSDG4418000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 240 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 8,167,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 8,167,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 63 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   NEOLA4 Neoplasma.  (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4-
      1957-  Volume(issue)/page/year: 27,261,1980

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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