Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H17N7O6.Ca |
Molecular Weight | 479.46 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N=C2C(=O)N1
InChI
InChIKey=KRPUUUJWTZKSOK-YDALLXLXSA-L
InChI=1S/C19H19N7O6.Ca/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);/q;+2/p-2/t12-;/m0./s1
Molecular Formula | C19H19N7O6 |
Molecular Weight | 441.3975 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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
Sat Dec 16 15:18:47 GMT 2023
by
admin
on
Sat Dec 16 15:18:47 GMT 2023
|
Record UNII |
42J663XLK6
|
Record Status |
Validated (UNII)
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Record Version |
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-
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42J663XLK6
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78168-16-8
Created by
admin on Sat Dec 16 15:18:47 GMT 2023 , Edited by admin on Sat Dec 16 15:18:47 GMT 2023
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101593504
Created by
admin on Sat Dec 16 15:18:47 GMT 2023 , Edited by admin on Sat Dec 16 15:18:47 GMT 2023
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PARENT -> SALT/SOLVATE |
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