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Bendamustine Isopropyl Ester Impurity

CAT: 1596-AR-B01116-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01116-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797008-41-3
Synonyms
Isopropyl 4- (5- ((2-chloroethyl) (2-hydroxyethyl) amino) -1-methyl-1H-benzo[d]imidazol-2-yl) butanoate;5-[ (2-Chloroethyl) (2-hydroxyethyl) amino]-1-methyl-1H-benzimidazole-2-butanoic Acid 1-Methylethyl Ester
Molecular Formula
C19H28ClN3O3
Molecular Weight
381.9
API Name
Bendamustine

Chemical Information

Bendamustine Isopropyl Ester Impurity
CAS Number1797008-41-3
PubChem CID89639292
IUPAC Namepropan-2-yl 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
Molecular FormulaC19H28ClN3O3
Molecular Weight381.9
XLogP2.7
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity438
SMILES
CC(C)OC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCCl
InChI
InChI=1S/C19H28ClN3O3/c1-14(2)26-19(25)6-4-5-18-21-16-13-15(7-8-17(16)22(18)3)23(10-9-20)11-12-24/h7-8,13-14,24H,4-6,9-12H2,1-3H3
InChIKey
HAWLXAXYEAACJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bendamustine Isopropyl Ester Impurity
CAS: 1797008-41-3
CID: 89639292
Formula: C19H28ClN3O3
MW: 381.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.9
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass381.1819195
Monoisotopic Mass381.1819195
Topological Polar Surface Area67.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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