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2D Structure
Also known as: Schembl24175, Chembl1201175, Dtxsid20979825, Akos015894824
Molecular Formula
C15H17ClN4O9
Molecular Weight
432.77  g/mol
InChI Key
KUGJPYZIWCRREB-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid
2.1.2 InChI
InChI=1S/C11H6ClN3O6.C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);6-8H,1-3,5H2
2.1.3 InChI Key
KUGJPYZIWCRREB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl24175

2. Chembl1201175

3. Dtxsid20979825

4. Akos015894824

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 432.77 g/mol
Molecular Formula C15H17ClN4O9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass432.0684058 g/mol
Monoisotopic Mass432.0684058 g/mol
Topological Polar Surface Area243 Ų
Heavy Atom Count29
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameAlomide
PubMed HealthLodoxamide (Into the eye)
Drug ClassesOphthalmologic Agent
Drug LabelALOMIDE (lodoxamide tromethamine ophthalmic solution) 0.1% is a sterile ophthalmic solution containing the mast cell stabilizer lodoxamide tromethamine for topical administration to the eyes. Lodoxamide tromethamine is a white, crystalline, water-s...
Active IngredientLodoxamide tromethamine
Dosage FormSolution/drops
RouteOphthalmic
Strengtheq 0.1% base
Market StatusPrescription
CompanyAlcon

2 of 2  
Drug NameAlomide
PubMed HealthLodoxamide (Into the eye)
Drug ClassesOphthalmologic Agent
Drug LabelALOMIDE (lodoxamide tromethamine ophthalmic solution) 0.1% is a sterile ophthalmic solution containing the mast cell stabilizer lodoxamide tromethamine for topical administration to the eyes. Lodoxamide tromethamine is a white, crystalline, water-s...
Active IngredientLodoxamide tromethamine
Dosage FormSolution/drops
RouteOphthalmic
Strengtheq 0.1% base
Market StatusPrescription
CompanyAlcon