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Domperidone EP Impurity E

CAT: 1299-RM-D160405-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160405-01Size:10 mg
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CAS Number
1346602-50-3
Synonyms
1- (3- (4- (5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl) piperidin-1-yl) propyl) -3- (3- (2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl) propyl) -1H-benzo[d]imidazol-2 (3H) -one
Molecular Formula
C32H34ClN7O3
Molecular Weight
600.11
Target Alternative Name
Domperidone
Product Name Synonym
1- (3- (4- (5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl) piperidin-1-yl) propyl) -3- (3- (2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl) propyl) -1H-benzo[d]imidazol-2 (3H) -one

Chemical Information

Domperidone impurity E
CAS Number1346602-50-3
PubChem CID71316191
IUPAC Name1-[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzimidazol-2-one
Molecular FormulaC32H34ClN7O3
Molecular Weight600.1
XLogP5
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1040
SMILES
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5N(C4=O)CCCN6C7=CC=CC=C7NC6=O
InChI
InChI=1S/C32H34ClN7O3/c33-22-11-12-27-25(21-22)35-31(42)40(27)23-13-19-36(20-14-23)15-5-17-38-28-9-3-4-10-29(28)39(32(38)43)18-6-16-37-26-8-2-1-7-24(26)34-30(37)41/h1-4,7-12,21,23H,5-6,13-20H2,(H,34,41)(H,35,42)
InChIKey
RGMCTMMMTSTPET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Domperidone impurity E
CAS: 1346602-50-3
CID: 71316191
Formula: C32H34ClN7O3
MW: 600.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.1
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass599.2411657
Monoisotopic Mass599.2411657
Topological Polar Surface Area91.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity1040
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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