苯达莫司汀
- 中文名称：
- 苯达莫司汀
- 中文别名：
- 盐酸苯达莫斯汀;
4-[5-[双(2-氯乙基)氨基]-1-甲基苯并咪唑-2-基]丁酸盐酸盐 盐酸苯达莫司汀;
5-[二(2-氯乙基)氨基]-1-甲基苯并咪唑-2-丁酸盐酸盐;
盐酸苯达莫司汀
- 英文名称：
- Bendamustine hydrochloride
- 英文别名：
- bendamustine HCL;
4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid hydrochloride;
Bendamustinum;
Bendamustine hydrochloride;
CytostasanHCl;
Bendamustinhydrochlorid;
CYTOSTASAN;
Ribomustin;
BENDAMUSTIN HYDROCHLORIDE;
ZIMET-33/93;
Bendamustine Hydrochloride Hydrate;
Treanda;
BendaMustin HCl
- CAS No.：
- 3543-75-7
- 分 子 式：
-
C16H22Cl3N3O2
- 分 子 量：
- 394.72
- 精确分子量：
- 393.07800
- PSA：
- 58.36000
- InChI：
- The Key: ZHSKUOZOLHMKEA-UHFFFAOYSA-N3
- 风险术语：
- 60-61-22-40
- 分子结构式：
-
- SDS：
- 查看
苯达莫司汀 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DE1590000
- CHEMICAL NAME :
- 2-Benzimidazolinebutryric acid,
1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride
- CAS REGISTRY NUMBER :
- 3543-75-7
- LAST UPDATED :
- 199509
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C16-H21-Cl2-N3-O2.Cl-H
- MOLECULAR WEIGHT :
- 394.76
- WISWESSER LINE NOTATION :
- T56 BN DNJ B1 C3VQ GN2G2G &GH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Blood - changes in spleen
- REFERENCE :
- ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc.,
Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978-
Volume(issue)/page/year: 8,504,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Blood - changes in spleen
- REFERENCE :
- ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc.,
Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978-
Volume(issue)/page/year: 8,504,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARGEAR Archiv fuer Geschwulstforschung. (VEB Verlag Volk und Gesundheit
Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1949-
Volume(issue)/page/year: 43,16,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 71 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41,
1958-82. For publisher information, see BBIADT. Volume(issue)/page/year:
19,543,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Blood - changes in spleen
- REFERENCE :
- ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc.,
Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978-
Volume(issue)/page/year: 8,504,1985
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg/4D-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Skin and Appendages - tumors
- REFERENCE :
- ARGEAR Archiv fuer Geschwulstforschung. (VEB Verlag Volk und Gesundheit
Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1949-
Volume(issue)/page/year: 43,16,1974
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg/4D-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- REFERENCE :
- ARGEAR Archiv fuer Geschwulstforschung. (VEB Verlag Volk und Gesundheit
Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1949-
Volume(issue)/page/year: 43,16,1974
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 70 mg/kg
- SEX/DURATION :
- female 11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und
Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr.
18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year:
110,1067,1971
苯达莫司汀 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:2
3.氢键受体数量:4
4.可旋转化学键数量:9
5.互变异构体数量:2
6.拓扑分子极性表面积:58.4
7.重原子数量:24
8.表面电荷:0
9.复杂度:380
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
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