Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C8H18N6O4.2C6H3N3O7.2H2O |
| Molecular Weight | 756.5047 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.OC2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.NC(=N)N[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]3O
InChI
InChIKey=RDMKVHLXYFNNBE-KAYQBGPVSA-N
InChI=1S/C8H18N6O4.2C6H3N3O7.2H2O/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14);2*1-2,10H;2*1H2/t1-,2+,3-,4+,5-,6-;;;;
| 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 | C8H18N6O4 |
| Molecular Weight | 262.2663 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H3N3O7 |
| Molecular Weight | 229.1039 |
| Charge | 0 |
| 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
Mon Mar 31 23:02:51 GMT 2025
by
admin
on
Mon Mar 31 23:02:51 GMT 2025
|
| Record UNII |
RJR07UES5D
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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| Name | Type | Language | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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m10222
Created by
admin on Mon Mar 31 23:02:51 GMT 2025 , Edited by admin on Mon Mar 31 23:02:51 GMT 2025
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PRIMARY | Merck Index | ||
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RJR07UES5D
Created by
admin on Mon Mar 31 23:02:51 GMT 2025 , Edited by admin on Mon Mar 31 23:02:51 GMT 2025
|
PRIMARY |