Bendamustine Amino Isopropyl Ester Impurity

CAT: 1596-AR-B05847-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B05847-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1313020-26-6

Synonyms

Isopropyl 4- (5-amino-1-methyl-1H-benzo[d]imidazol-2-yl) butanoate; Benzimidazole Impurity

Molecular Formula

C15H21N3O2

Molecular Weight

275.35

API Name

Bendamustine

Chemical Information

4-(5-Amino-1-methyl-1H-benzoimidazol-2-yl)-butyric acid isopropyl ester

CAS Number	1313020-26-6
PubChem CID	53258887
IUPAC Name	propan-2-yl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate
Molecular Formula	C15H21N3O2
Molecular Weight	275.35
XLogP	2
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	335

SMILES

CC(C)OC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N

InChI

InChI=1S/C15H21N3O2/c1-10(2)20-15(19)6-4-5-14-17-12-9-11(16)7-8-13(12)18(14)3/h7-10H,4-6,16H2,1-3H3

InChIKey

WNNXAWPAXNZYEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1313020-26-6

CID: 53258887

Formula: C15H21N3O2

MW: 275.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.35
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	275.16337692
Monoisotopic Mass	275.16337692
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	335
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
AR-B01116-01	Bendamustine Isopropyl Ester Impurity
AR-B01142-01	Bendamustine Nitro Ethyl Ester Impurity
AR-S01024-01	Sacubitril Isopropyl Ester Impurity
AR-D06198-01	Dabigatran Isopropyl Ester Impurity
AR-T06362-01	Treprostinil Isopropyl Ester Impurity
AR-A04678-01	Apixaban Isopropyl Ester Impurity
AR-B01109-01	Bendamustine Impurity A
AR-B01135-01	Bendamustine Ethyl Ester
AR-B01122-01	Bendamustine Mannitol Ester
AR-B01144-01	Bendamustine Methyl Ester

Catalog	Name
RCC29572-01	Allyl ester of atorvastatin cyclic (isopropyl) impurity
RM-P150206-01	Probenecid Impurity 6 (Probenecid Isopropyl Ester)
OR346571-01	5-Amino-2-chlorobenzoic acid isopropyl ester
sc-323293	4'-Amino-biphenyl-3-carboxylic acid isopropyl ester
sc-321538	2-Amino-benzothiazole-6-carboxylic acid isopropyl ester
sc-335890	3'-Amino-biphenyl-3-carboxylic acid isopropyl ester
TRC-A791828-2.5MG	Atorvastatin Cyclic 1,3-Oxazine (Isopropyl) Methyl Ester Impurity
289094-01	Saccharin N- (2-acetic acid isopropyl ester) (piroxicam impurity F)
TRC-S080830-250MG	Saccharin N-(2-Acetic Acid Isopropyl Ester)(Piroxicam Impurity F)
CS-O-54413	N-Nitroso Apixaban Amino Acid ethyl ester Impurity