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    Calcium D-Pantothenate
    Also known as: 137-08-6, D-calcium pantothenate, Calpanate, Pantholin, Calpan, Vitamin b5, calcium salt
    Molecular Formula
    C18H32CaN2O10
    Molecular Weight
    476.5  g/mol
    InChI Key
    FAPWYRCQGJNNSJ-UBKPKTQASA-L
    FDA UNII
    568ET80C3D
    A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.
    1 2D Structure

    Calcium D-Pantothenate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
    2.1.2 InChI
    InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
    2.1.3 InChI Key
    FAPWYRCQGJNNSJ-UBKPKTQASA-L
    2.1.4 Canonical SMILES
    CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]
    2.1.5 Isomeric SMILES
    CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    568ET80C3D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. B 5, Vitamin

    2. B5, Vitamin

    3. Dexol

    4. Pantothenate, Calcium

    5. Pantothenate, Zinc

    6. Pantothenic Acid

    7. Vitamin B 5

    8. Vitamin B5

    9. Zinc Pantothenate

    2.3.2 Depositor-Supplied Synonyms

    1. 137-08-6

    2. D-calcium Pantothenate

    3. Calpanate

    4. Pantholin

    5. Calpan

    6. Vitamin B5, Calcium Salt

    7. Calcium D-pantothenate

    8. Pantothenate Calcium

    9. D-ca Pantothenate

    10. Calcium Pantotenate

    11. Pantothenic Acid Calcium Salt

    12. Pancal

    13. Calcium D-pantothenate (1:2)

    14. D-pantothenic Acid Calcium Salt

    15. Cris Pan

    16. Calcium Pantothenate, D-

    17. Calcium Panthothenate

    18. Ca-hopa

    19. Pantothenic Acid (as Calcium)

    20. D-pantothenic Acid Hemicalcium

    21. Pantothenic Acid, Calcium Salt (2:1), D-

    22. Dextro Calcium Pantothenate

    23. 568et80c3d

    24. Calcium Pantothenate (2:1)

    25. Nsc-36292

    26. Pantothenic Acid, Calcium Salt

    27. D-pantothenic Acid Hemicalcium Salt

    28. Calcium D-panthotenate

    29. Pantothenic Acid Calcium

    30. Calcium (r)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate

    31. D-calcium Pantothenate Calcium Chloride Double Salt

    32. Calcii Pantothenas

    33. Pantotenato Calcico

    34. N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine Calcium

    35. Calcium;3-[[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate

    36. Pantothenate De Calcium

    37. Bis(pantothenato)calcium

    38. Ncgc00183031-01

    39. Calcium Pantothenate (van)

    40. Calcium, Bis(pantothenato)-

    41. Calcium Pantothenate , D-form

    42. Unii-568et80c3d

    43. Ccris 1338

    44. Mfcd00002766

    45. Calcii Pantothenas [inn-latin]

    46. Pantotenato Calcico [inn-spanish]

    47. Einecs 205-278-9

    48. Calcium Pantothenate [usp:inn:jan]

    49. Calpan (tn)

    50. Nsc 36292

    51. Pantothenate De Calcium [inn-french]

    52. Vitamin B5 Calcium Salt

    53. Pantothenic Acid, Calcium Salt, D-, Compd. With Calcium Chloride

    54. D-pantothenic Acid Calcium

    55. Pantothenic Acid, Calcium Salt (2:1), (+)-

    56. D-pantothenicacidhemicalcium

    57. Calcium D-(+)-pantothenate

    58. Dsstox_cid_20438

    59. Dsstox_rid_79493

    60. Dsstox_gsid_40438

    61. Schembl34427

    62. Chembl1901349

    63. Dtxsid8040438

    64. Chebi:31345

    65. Calcium Pantothenate [inn]

    66. Calcium Pantothenate [jan]

    67. Calcium Pantothenate [inci]

    68. Calcium Pantothenate [vandf]

    69. Calcium Pantothenate, (+)-

    70. Tox21_113437

    71. Calcium Pantothenate [usp-rs]

    72. Calcium Pantothenate [who-dd]

    73. Akos024258157

    74. Calcium Pantothenate (jp17/usp/inn)

    75. Beta-alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt (2:1), (r)-

    76. Calcium D(+)-n-(alpha,gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alaninate

    77. Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine (1:2), (r)-

    78. As-13049

    79. Calcium Pantothenate [ep Impurity]

    80. Cas-137-08-6

    81. (+)-pantothenic Acid Calcium Salt

    82. Calcium Pantothenate [ep Monograph]

    83. Pantothenic Acid Calcium Salt [mi]

    84. Calcium Pantothenate [usp Monograph]

    85. P0012

    86. Pantothenic Acid (as Calcium) [vandf]

    87. D01082

    88. D70806

    89. A807185

    90. Pantothenic Acid (as Calcium Pantothenate)

    91. Pantothenic Acid Calcium 10 Microg/ml In Acetonitrile

    92. Q27261387

    93. Calcium N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine

    94. Beta-alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt

    95. Calcium 3-[[(2r)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate

    96. .beta.-alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt (2:1), (r)-

    97. Beta-alanine, N-((2r)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt (2:1)

    98. Beta-alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, Calcium Salt (2:1), (theta)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 476.5 g/mol
    Molecular Formula C18H32CaN2O10
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass476.1682861 g/mol
    Monoisotopic Mass476.1682861 g/mol
    Topological Polar Surface Area219 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vitamin B Complex

    A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A11 - Vitamins

    A11H - Other plain vitamin preparations

    A11HA - Other plain vitamin preparations

    A11HA31 - Calcium pantothenate

    D - Dermatologicals

    D03 - Preparations for treatment of wounds and ulcers

    D03A - Cicatrizants

    D03AX - Other cicatrizants

    D03AX04 - Calcium pantothenate

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    Basic Nutrition Calcium Pantothenate

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