Lodoxamide

CAT: 0127-BUP13264-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13264-03Size:25 mg

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CAS Number

53882-12-5

Synonyms

Lodoxamidum

Purity

=98%

Smiles

OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N

Chemical Information

Lodoxamide

Lodoxamide is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number	53882-12-5
PubChem CID	44564
IUPAC Name	2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
Molecular Formula	C11H6ClN3O6
Molecular Weight	311.63
XLogP	0.5
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	489

SMILES

C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

InChIKey

RVGLGHVJXCETIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53882-12-5

CID: 44564

Formula: C11H6ClN3O6

MW: 311.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.63
XLogP3	0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	310.9945126
Monoisotopic Mass	310.9945126
Topological Polar Surface Area	157 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	489
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
BA5398-200	Lodoxamide