Bendamustine N-Desmethyl Impurity Hydrochloride

CAT: 1596-AR-B06204-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06204-01Size:10 Units

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CAS Number

31349-38-9

Synonyms

4- (5- (Bis (2-chloroethyl) amino) -1H-benzo[d]imidazol-2-yl) butanoic acid hydrochloride

Molecular Formula

C15H19Cl2N3O2. HCl

Molecular Weight

344.24 36.46

API Name

Bendamustine

Chemical Information

Desmethyl Bendamustine Hydrochloride

CAS Number	31349-38-9
PubChem CID	129627280
IUPAC Name	4-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]butanoic acid;hydrochloride
Molecular Formula	C15H20Cl3N3O2
Molecular Weight	380.7
Topological Polar Surface Area	69.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	354

SMILES

C1=CC2=C(C=C1N(CCCl)CCCl)NC(=N2)CCCC(=O)O.Cl

InChI

InChI=1S/C15H19Cl2N3O2.ClH/c16-6-8-20(9-7-17)11-4-5-12-13(10-11)19-14(18-12)2-1-3-15(21)22;/h4-5,10H,1-3,6-9H2,(H,18,19)(H,21,22);1H

InChIKey

MIQLSSMJKCGLSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31349-38-9

CID: 129627280

Formula: C15H20Cl3N3O2

MW: 380.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	379.062110
Monoisotopic Mass	379.062110
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-B01118-01	Bendamustine Desmethyl Impurity
AR-B06193-01	Bendamustine Impurity 5-d4 (Desmethyl Impurity)
AR-B06202-01	Bendamustine Impurity 5-d8 HCl (Bendamustine Desmethyl Impurity-d8 HCl)
AR-B01109-01	Bendamustine Impurity A
AR-B01112-01	Bendamustine N-Alkylated Impurity HCl
AR-B01123-01	Bendamustine Ether Impurity
AR-B01117-01	Bendamustine Impurity D
AR-B01111-01	Bendamustine Impurity C
AR-B01148-01	Bendamustine Impurity 25
AR-B06197-01	Bendamustine Impurity 19

Catalog	Name
TRC-D291030-50MG	Desmethyl Bendamustine Hydrochloride
HY-143932S-01	Desmethyl Bendamustine-d8 (hydrochloride)
TRC-D291032-25MG	Desmethyl Bendamustine-D6 Hydrochloride
CS-EO-01216	N-Nitroso Bendamustine Impurity
CS-P-04159	Diltiazem Impurity G (N-Desmethyl Desacetyl Diltiazem Hydrochloride)
417420	2-Desbutylcarboxy-2- (N-hydroxyheptanamino) Bendamustine Hydrochloride
TRC-D289355-200MG	2-Desbutylcarboxy-2-(N-hydroxyheptanamino) Bendamustine Hydrochloride
CS-P-07607	Diltiazem EP Impurity C Hydrochloride (O-Desmethyl Diltiazem Hydrochloride)
417421-01	2-Desbutylcarboxy-2- (N-hydroxyheptanamino) Bendamustine Hydrochloride-D10
TRC-D289357-75MG	2-Desbutylcarboxy-2-(N-hydroxyheptanamino) Bendamustine Hydrochloride-D10