Lodoxamide Impurity 10

CAT: 1596-AR-L07626-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07626-01Size:10 Units

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CAS Number

67451-25-6

Molecular Formula

C15H16ClN3O7

Molecular Weight

385.76

API Name

Lodoxamide

Chemical Information

Lodoxamide lmpurity 14

CAS Number	67451-25-6
PubChem CID	90672076
IUPAC Name	ethyl 2-[5-carbamoyl-2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
Molecular Formula	C15H16ClN3O7
Molecular Weight	385.75
XLogP	1.1
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	542

SMILES

CCOC(=O)C(=O)NC1=CC(=CC(=C1Cl)NC(=O)C(=O)OCC)C(=O)N

InChI

InChI=1S/C15H16ClN3O7/c1-3-25-14(23)12(21)18-8-5-7(11(17)20)6-9(10(8)16)19-13(22)15(24)26-4-2/h5-6H,3-4H2,1-2H3,(H2,17,20)(H,18,21)(H,19,22)

InChIKey

BEMDMXBNQFGYJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67451-25-6

CID: 90672076

Formula: C15H16ClN3O7

MW: 385.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.75
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	385.0676776
Monoisotopic Mass	385.0676776
Topological Polar Surface Area	154 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	542
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