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Bendamustine USP Related Compound E

CAT: 1299-RM-B041305-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B041305-02Size:25 mg
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CAS Number
109882-27-1
Synonyms
4- (5- ((2-chloroethyl) (2-hydroxyethyl) amino) -1-methyl-1H-benzo[d]imidazol-2-yl) butanoic acid
Molecular Formula
C16H22ClN3O3
Molecular Weight
339.82
Target Alternative Name
Bendamustine
Product Name Synonym
4- (5- ((2-chloroethyl) (2-hydroxyethyl) amino) -1-methyl-1H-benzo[d]imidazol-2-yl) butanoic acid

Chemical Information

4-(5-((2-Chloroethyl)(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazol-2-yl)butanoic acid
CAS Number109882-27-1
PubChem CID23238076
IUPAC Name4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82
XLogP1.6
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
CN1C2=C(C=C(C=C2)N(CCO)CCCl)N=C1CCCC(=O)O
InChI
InChI=1S/C16H22ClN3O3/c1-19-14-6-5-12(20(8-7-17)9-10-21)11-13(14)18-15(19)3-2-4-16(22)23/h5-6,11,21H,2-4,7-10H2,1H3,(H,22,23)
InChIKey
PFTRYOMJJKBZKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-((2-Chloroethyl)(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazol-2-yl)butanoic acid
CAS: 109882-27-1
CID: 23238076
Formula: C16H22ClN3O3
MW: 339.82
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.82
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass339.1349693
Monoisotopic Mass339.1349693
Topological Polar Surface Area78.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
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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RM-B041302-01Bendamustine USP Related Compound G
RM-B041340-01Bendamustine USP Related Compound C
RM-B041308-01Bendamustine USP Related Compound F
RM-B041341-01Bendamustine USP Related Compound I
RM-B041309-01Bendamustine USP Related Compound H
RM-E001002-01Ecamsule USP Related Compound E
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Alternative Products

CatalogName
AR-B05476-01Bendamustine USP Related Compound A
AR-B05474-01Bendamustine USP Related Compound B
AR-B05473-01Bendamustine USP Related Compound A HCl
AR-B06191-01Bendamustine USP Related Compound E-d8
AR-B05475-01Bendamustine USP Related Compound G HCl
AR-B06190-01Bendamustine USP Related Compound E-d4
AR-B01145-01Bendamustine Related Impurity 21
AR-B01126-01Bendamustine Related Impurity 3
AR-B06187-01Bendamustine Related Impurity 9
AR-B01131-01Bendamustine Related Impurity 7

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