Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H18Cl2N8O5.2Na |
| Molecular Weight | 567.293 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C3=C(Cl)C=C(C=C3Cl)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
InChI
InChIKey=IRMJZDNBCPOFSN-LTCKWSDVSA-L
InChI=1S/C20H20Cl2N8O5.2Na/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32;;/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29);;/q;2*+1/p-2/t12-;;/m0../s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C20H18Cl2N8O5 |
| Molecular Weight | 521.314 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:06:20 GMT 2023
by
admin
on
Fri Dec 15 15:06:20 GMT 2023
|
| Record UNII |
097IQ7AD9R
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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22198-99-8
Created by
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137321705
Created by
admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
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097IQ7AD9R
Created by
admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
