Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21N7O7.Ca.5H2O |
| Molecular Weight | 601.578 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[Ca++].NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
InChI
InChIKey=NPPBLUASYYNAIG-BWDMFOMUSA-L
InChI=1S/C20H23N7O7.Ca.5H2O/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;;;;;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);;5*1H2/q;+2;;;;;/p-2/t12-,13-;;;;;;/m0....../s1
| Molecular Formula | C20H23N7O7 |
| Molecular Weight | 473.4393 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 | Ca |
| Molecular Weight | 40.078 |
| 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
Fri Dec 15 16:36:34 UTC 2023
by
admin
on
Fri Dec 15 16:36:34 UTC 2023
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| Record UNII |
WA16A5Y52X
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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135465090
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419573-16-3
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100000076369
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SUB11775MIG
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DBSALT001887
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WA16A5Y52X
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WA16A5Y52X
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DTXSID90194780
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1648126
Created by
admin on Fri Dec 15 16:36:34 UTC 2023 , Edited by admin on Fri Dec 15 16:36:34 UTC 2023
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PRIMARY | RxNorm |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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