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    Folinic Acid Calcium Salt Hydrate

    PharmaCompass
    Xls

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    2D Structure
    Also known as:
    Molecular Formula
    C20H21CaN7O7
    Molecular Weight
    511.5  g/mol
    InChI Key
    KVUAALJSMIVURS-ZEDZUCNESA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
    2.1.2 InChI
    InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1
    2.1.3 InChI Key
    KVUAALJSMIVURS-ZEDZUCNESA-L
    2.1.4 Canonical SMILES
    C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
    2.2 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 511.5 g/mol
    Molecular Formula C20H21CaN7O7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass511.1128369 g/mol
    Monoisotopic Mass511.1128369 g/mol
    Topological Polar Surface Area221 A^2
    Heavy Atom Count35
    Formal Charge0
    Complexity918
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    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 NameLEUCOVORIN CALCIUM PRESERVATIVE FREE
    Active IngredientLEUCOVORIN CALCIUM
    CompanyFRESENIUS KABI USA (Application Number: A040258); FRESENIUS KABI USA (Application Number: A040286); MYLAN LABS LTD (Application Number: A203800); SAGENT PHARMS (Application Number: A200753); SAGENT PHARMS (Application Number: A200855); WEST-WARD PHARMS INT (Application Number: A040056); WEST-WARD PHARMS INT (Application Number: A040335); WEST-WARD PHARMS INT (Application Number: A040347)

    2 of 2  
    Drug NameLEUCOVORIN CALCIUM
    Active IngredientLEUCOVORIN CALCIUM
    CompanyBARR (Application Number: A071198); BARR (Application Number: A071199); TEVA PHARMS USA (Application Number: A040174); TEVA PHARMS USA (Application Number: A081277); WEST-WARD PHARMS INT (Application Number: A072733); WEST-WARD PHARMS INT (Application Number: A072734); WEST-WARD PHARMS INT (Application Number: A072735); WEST-WARD PHARMS INT (Application Number: A072736); WEST-WARD PHARMS INT (Application Number: A089384); WEST-WARD PHARMS INT (Application Number: A089717)