Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H8NO6P.Ca.3H2O |
| Molecular Weight | 339.25 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Ca++].CC1=NC=C(COP([O-])([O-])=O)C(C=O)=C1O
InChI
InChIKey=NBNPMJXEMGRWNF-UHFFFAOYSA-L
InChI=1S/C8H10NO6P.Ca.3H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;;;;/h2-3,11H,4H2,1H3,(H2,12,13,14);;3*1H2/q;+2;;;/p-2
| 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 | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C8H8NO6P |
| Molecular Weight | 245.126 |
| Charge | -2 |
| 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 05:26:22 UTC 2023
by
admin
on
Sat Dec 16 05:26:22 UTC 2023
|
| Record UNII |
J766QN40UD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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100000086559
Created by
admin on Sat Dec 16 05:26:23 UTC 2023 , Edited by admin on Sat Dec 16 05:26:23 UTC 2023
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PRIMARY | |||
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CHEMBL82202
Created by
admin on Sat Dec 16 05:26:23 UTC 2023 , Edited by admin on Sat Dec 16 05:26:23 UTC 2023
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PRIMARY | |||
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11954332
Created by
admin on Sat Dec 16 05:26:23 UTC 2023 , Edited by admin on Sat Dec 16 05:26:23 UTC 2023
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PRIMARY | |||
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J766QN40UD
Created by
admin on Sat Dec 16 05:26:23 UTC 2023 , Edited by admin on Sat Dec 16 05:26:23 UTC 2023
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SUB22741
Created by
admin on Sat Dec 16 05:26:23 UTC 2023 , Edited by admin on Sat Dec 16 05:26:23 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |