KEGG   COMPOUND: C12276
Entry
C12276                      Compound                               

Name
Calcium pantothenate
Formula
(C9H16NO5)2. Ca
Exact mass
476.1683
Mol weight
476.5321
Structure
Remark
Same as: D01082
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11H OTHER PLAIN VITAMIN PREPARATIONS
    A11HA Other plain vitamin preparations
     A11HA31 Calcium pantothenate
      D01082  Calcium pantothenate (JP17/USP/INN)
 D DERMATOLOGICALS
  D03 PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
   D03A CICATRIZANTS
    D03AX Other cicatrizants
     D03AX04 Calcium pantothenate
      D01082  Calcium pantothenate (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3133  Pantothenic acids
     D01082  Calcium pantothenate (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  45 Protein and amino acid based drugs
   D01082  Calcium pantothenate (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Pantothenic acid
    D01082  Calcium pantothenate (JP17/USP/INN)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D01082  [001505] Calcium pantothenate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01082  Calcium pantothenate
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  962  Vitamin preparations
   9623  Vitamin B and preparations (except vitamin B1 preparations)
    C12276  Calcium pantothenate
Other DBs
CAS: 137-08-6
PubChem: 14420
ChEBI: 31345
ChEMBL: CHEMBL1901349
KCF data

ATOM        31
            1   C1c C    23.1973  -14.9253
            2   C1d C    21.9802  -15.6240
            3   C5a C    24.4085  -15.6240
            4   O1a O    23.1973  -13.5277
            5   C1b C    20.7691  -14.9253
            6   C1a C    20.7691  -16.3286
            7   C1a C    23.1973  -16.3286
            8   N1b N    25.6138  -14.9253
            9   O5a O    24.4085  -17.0216
            10  O1a O    19.5520  -15.6240
            11  C1b C    26.8309  -15.6240
            12  C1b C    28.0422  -14.9253
            13  C6a C    29.2533  -15.6240
            14  O6a O    30.4703  -14.9253 #-
            15  O6a O    29.2533  -17.0216
            16  Z   Ca   33.2713  -15.2850 #2+
            17  C1c C    23.1973  -14.9253
            18  C1d C    21.9802  -15.6240
            19  C1b C    20.7691  -14.9253
            20  O1a O    19.5520  -15.6240
            21  C1a C    20.7691  -16.3286
            22  C1a C    23.1973  -16.3286
            23  C5a C    24.4085  -15.6240
            24  N1b N    25.6138  -14.9253
            25  C1b C    26.8309  -15.6240
            26  C1b C    28.0422  -14.9253
            27  C6a C    29.2533  -15.6240
            28  O6a O    30.4703  -14.9253 #-
            29  O6a O    29.2533  -17.0216
            30  O5a O    24.4085  -17.0216
            31  O1a O    23.1973  -13.5277
BOND        28
            1    13  14 1
            2    13  15 2
            3     1   2 1
            4     1   3 1
            5     1   4 1 #Up
            6     2   5 1
            7     2   6 1
            8     2   7 1
            9     3   8 1
            10    3   9 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   27  28 1
            16   27  29 2
            17   17  18 1
            18   17  23 1
            19   17  31 1 #Up
            20   18  19 1
            21   18  21 1
            22   18  22 1
            23   23  24 1
            24   23  30 2
            25   19  20 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
BRACKET     1    18.3400  -18.0600   18.3400  -12.8800
            1    31.2900  -12.8800   31.2900  -18.0600
            1  2
 ORIGINAL  1    1   2   5  10   6   7   3   8  11  12  13  14  15   9   4
 REPEAT    1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31

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