Bendamustine Hydrochloride

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Names

[ CAS No. ]:
3543-75-7

[ Name ]:
Bendamustine Hydrochloride

[Synonym ]:
Treanda
Levact
CytostasanHCl
Bendamustinum
acide 4-{5-[bis(2-chloroéthyl)amino]-1-méthyl-1H-benzimidazol-2-yl}butanoïque chlorhydrate
BendaMustin HCl
Cytostasan
4-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid hydrochloride (1:1)
1H-benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride
MFCD01658758
Bendamustine HCl
Bendamustinhydrochlorid
Bendamustine Hydrochloride
ZIMET-33/93
1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, hydrochloride (1:1)
5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic Acid Monohydrochloride
Bendamustin hydrochloride
Ribomustin
Bendamustine Hydrochloride Hydrate
4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid hydrochloride
4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid hydrochloride
Bendamustine (hydrochloride)

Chemical & Physical Properties

[ Melting Point ]:
149-151°C

[ Molecular Formula ]:
C16H22Cl3N3O2

[ Molecular Weight ]:
394.724

[ Exact Mass ]:
393.077759

[ PSA ]:
58.36000

[ LogP ]:
4.06660

[ Storage condition ]:
Desiccate at RT

Toxicological Information

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

Safety Information

[ Hazard Codes ]:
T,Xn

[ Risk Phrases ]:
60-61-22-40

[ Safety Phrases ]:
36-37

Synthetic Route

Precursor & DownStream

Precursor

  • 5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
  • Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate
  • 2,4-Dinitro-N-methylaniline
  • 2,4-Dinitrochlorobenzene
  • N1-Methyl-4-nitro-1,2-benzenediamine
  • isopropyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
  • 4-(2,4-dinitrophenylcarbamoyl)butyric acid methyl ester
  • 4-[(2,4-dinitrophenyl)methylcarbamoyl]butyric acid methyl ester

DownStream

  • Methyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2 -yl}butanoate
  • Bendamustine
  • Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate

Related Compounds

  • Bendamustine hydrochloride hydrate
  • DesMethyl BendaMustine Hydrochloride
  • Bendamustine-d8 hydrochloride
  • BendaMustine IMpurity A
  • 2-Desbutylcarboxy-2-(N-hydroxyheptanamino) Bendamustine
  • carnitine hydrochloride