Bendamustine

CAT: 0127-BUP08945-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08945-01Size:2 mg

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CAS Number

16506-27-7

Synonyms

SDX105

Purity

=95%

Smiles

Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl

Storage Conditions

Store at 2-8°C

Chemical Information

Bendamustine

Bendamustine is a member of benzimidazoles.

CAS Number	16506-27-7
PubChem CID	65628
IUPAC Name	4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
Molecular Formula	C16H21Cl2N3O2
Molecular Weight	358.3
XLogP	2.9
Topological Polar Surface Area	58.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	380

SMILES

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O

InChI

InChI=1S/C16H21Cl2N3O2/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)

InChIKey

YTKUWDBFDASYHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16506-27-7

CID: 65628

Formula: C16H21Cl2N3O2

MW: 358.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.3
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	357.1010823
Monoisotopic Mass	357.1010823
Topological Polar Surface Area	58.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	380
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	1
Compound Is Canonicalized	Yes

Catalog	Name
BA2838-10	Bendamustine
FB18163-01	Bendamustine hydrochloride
200470	Bendamustine HCl
HY-B0077-01	Bendamustine (hydrochloride)
AR-B01114-01	Bendamustine-d4