3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride

CAS 2185-98-0 MFCD02185980

化学结构图

2185-98-0
SMILES: [Cl-].[Cl-].[NH3+]C(Cc1ccccc1C[NH+](CCCl)CCCl)C(=O)O

化学属性

Mol. Weight392.18
Mol. FormulaC14H20Cl2N2O2.2ClH

别名和识别编码

Wiswesser Line NotationQVYZ1R B1N2G2G &GH &GH
Chemical NameOcaphane
Synonym o-Bis(2-chloroethyl)aminomethylphenylalanine hydrochloride Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride AT-581 3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride Ocaphane Alanine, 3-(alpha-(bis(2-chloroethyl)amino)-o-tolyl)-, dihydrochloride
CAS Number2185-98-0
InChIKeyIPIMPKPAJIIOMJ-UHFFFAOYSA-N
PubChem Substance ID16604
InChIInChI=1S/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20;;/h1-4,13H,5-10,17H2,(H,19,20);2*1H
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安全信息

RTECSAY3310000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4900 ug/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   CYLPDN Zhongguo Yaoli Xuebao.  Acta Pharmacologica Sinica.  Chinese Journal
   of Pharmacology.  (China International Book Trading Corp., POB 2820,
   Beijing, Peop. Rep. China)  V.1-    1980-  Volume(issue)/page/year:
   2,121,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book
   Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23,    1978-88. For
   publisher information, see ZYZAEU.  Volume(issue)/page/year: 15(8),41,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CYLPDN Zhongguo Yaoli Xuebao.  Acta Pharmacologica Sinica.  Chinese Journal
   of Pharmacology.  (China International Book Trading Corp., POB 2820,
   Beijing, Peop. Rep. China)  V.1-    1980-  Volume(issue)/page/year:
   2,121,1981

系列性分类

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