chempirical

Bendamustine hydrochloride

C16H22Cl3N3O2CAS 3543-75-7394.72 g/mol

Open in Covalent MOL file
HClNOHONNClCl
Alkyl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C16H22Cl3N3O2
Molar mass
394.72 g/mol
Exact mass
393.0778 Da
Melting point
148–151 °C
logP
3.69Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
3543-75-7
SMILES
Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
InChIKey
ZHSKUOZOLHMKEA-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Purplz
  • 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, hydrochloride (1:1)
  • 2-Benzimidazolebutyric acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride
  • 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride
  • IMET 3393
  • Cytostasan
  • ZIMET 33/93
  • Bendamustin hydrochloride
  • Ribomustin
  • SDX 105
  • Treanda
  • Bendit

Work with Bendamustine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bendamustine16506-27-794 % similar Chlorambucil305-03-353 % similar Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate3543-73-541 % similar Dabigatran211914-51-136 % similar Melphalan hydrochloride3223-07-234 % similar 4-Methylbenzenebutanoic acid4521-22-632 % similar 4-Chlorobutanoic acid627-00-932 % similar 5-Chloropentanoic acid1119-46-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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