Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H21O12.C6H11O7.Ca.H2O |
Molecular Weight | 610.529 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.[H][C@@]1(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C([O-])=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI
InChIKey=OKRXSXDSNLJCRS-NLOQLBMISA-L
InChI=1S/C12H22O12.C6H12O7.Ca.H2O/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;;/m11../s1
Molecular Formula | Ca |
Molecular Weight | 40.078 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H11O7 |
Molecular Weight | 195.1473 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C12H22O12 |
Molecular Weight | 358.2959 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:41:13 UTC 2023
by
admin
on
Sat Dec 16 17:41:13 UTC 2023
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Record UNII |
3CF7K0SD0Q
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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WHO-ATC |
A12AA02
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admin on Sat Dec 16 17:41:13 UTC 2023 , Edited by admin on Sat Dec 16 17:41:13 UTC 2023
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WHO-VATC |
QA12AA02
Created by
admin on Sat Dec 16 17:41:13 UTC 2023 , Edited by admin on Sat Dec 16 17:41:13 UTC 2023
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100000153078
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C166669
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DBSALT001951
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12569-38-9
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DTXSID10905138
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CALCIUM GLUBIONATE
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C042131
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25806
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SUB06053MIG
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25557
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CHEMBL2219740
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3CF7K0SD0Q
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4842
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2890
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SUB126888
Created by
admin on Sat Dec 16 17:41:13 UTC 2023 , Edited by admin on Sat Dec 16 17:41:13 UTC 2023
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ALTERNATIVE |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |