Details of the Drug

General Information of Drug (ID: DMFH15Z)

Drug Name
Bendamustine hydrochloride
Synonyms Treanda (TN)
Indication
Disease Entry ICD 11 Status REF
leukaemia 2A60-2B33 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 394.7
Topological Polar Surface Area Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C16H22Cl3N3O2
IUPAC Name
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
Canonical SMILES
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
InChI
InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H
InChIKey
ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
77082
CAS Number
3543-75-7
TTD ID
D01CYA
INTEDE ID
DR0188
ACDINA ID
D00869

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Modulator [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A2 (CYP1A2)
Main DME 		DEJGDUW CP1A2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Mannitol E00103 6251 Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Acetdimethylamide E00335 31374 Solvent
Monothioglycerol E00144 7291 Antimicrobial preservative; Antioxidant
Polyethylene glycol 400 E00653 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Bendamustine Hydrochloride 100mg/4ml solution 100mg/4ml Solution Intravenous
Bendamustine Hydrochloride 25mg/vial powder 25mg/vial Powder Intravenous
Bendamustine Hydrochloride 100mg/vial powder 100mg/vial Powder Intravenous
Bendamustine Hydrochloride 45mg/0.5ml solution 45mg/0.5ml Solution Intravenous
Bendamustine Hydrochloride 180mg/2ml solution 180mg/2ml Solution Intravenous
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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4 Effects of polyunsaturated fatty acids on prostaglandin synthesis and cyclooxygenase-mediated DNA adduct formation by heterocyclic aromatic amines in human adenocarcinoma colon cells. Mol Carcinog. 2004 Jul;40(3):180-8.
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