KEGG   DRUG: Menadiol sodium diphosphate
Entry
D04908                      Drug                                   

Name
Menadiol sodium diphosphate (USP);
Menadiol sodium diphosphate hexahydrate;
Kappadione (TN)
Formula
C11H8O8P2. 6H2O. 4Na
Exact mass
529.9919
Mol weight
530.1747
Structure
Class
Cardiovascular agent
 DG01603  Vitamin K
 DG02016  Hemostatics
  DG02014  Blood coagulation accelerant
   DG01603  Vitamin K
Remark
Chemical structure group: DG01602
Efficacy
Antihypoprothrombinemia, Hemostatic, Supplement (vitamin K1)
Interaction
Other DBs
CAS: 6700-42-1
PubChem: 47206668
ChEMBL: CHEMBL3989728
LigandBox: D04908
NIKKAJI: J244.881E
LinkDB
KCF data

ATOM        31
            1   Z   Na   28.5058  -14.0069 #+
            2   O0  O    34.8764  -21.2184
            3   C8x C    23.5312  -19.0469
            4   C8x C    23.5312  -20.4475
            5   C8x C    24.7441  -21.1478
            6   C8y C    25.9571  -20.4475
            7   C8y C    25.9571  -19.0469
            8   C8x C    24.7441  -18.3466
            9   C8y C    27.1700  -21.1478
            10  C8x C    28.3830  -20.4475
            11  C8y C    28.3830  -19.0469
            12  C8y C    27.1700  -18.3466
            13  O2b O    27.1700  -16.9461
            14  P1b P    28.3851  -16.2446
            15  O2b O    27.1700  -22.5484
            16  P1b P    28.3851  -23.2499
            17  O1c O    29.5980  -15.5443
            18  O1c O    27.6800  -15.0231 #-
            19  O1c O    29.0802  -17.4490 #-
            20  O1c O    29.5980  -23.9502
            21  O1c O    27.6800  -24.4713 #-
            22  O1c O    29.0802  -22.0455 #-
            23  C1a C    29.5811  -18.3551
            24  Z   Na   30.4500  -17.1500 #+
            25  Z   Na   30.4500  -21.9100 #+
            26  Z   Na   25.7600  -24.5000 #+
            27  O0  O    34.8764  -21.2184
            28  O0  O    34.8764  -21.2184
            29  O0  O    34.8764  -21.2184
            30  O0  O    34.8764  -21.2184
            31  O0  O    34.8764  -21.2184
BOND        22
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     6   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12   12  13 1
            13   13  14 1
            14    9  15 1
            15   15  16 1
            16   14  17 2
            17   14  18 1
            18   14  19 1
            19   16  20 2
            20   16  21 1
            21   16  22 1
            22   11  23 1
BRACKET     1    32.5500  -22.1900   32.5500  -20.3700
            1    35.6300  -20.3700   35.6300  -22.1900
            1  6
 ORIGINAL  1    2
 REPEAT    1   27  28  29  30  31

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