Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H12N2.2C6H3N3O7 |
| Molecular Weight | 606.4128 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C1CN[C@@H](C1)C2=CN=CC=C2.OC3=C(C=C(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.OC4=C(C=C(C=C4[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChI
InChIKey=IIJVAJGRPUJGSK-WWPIYYJJSA-N
InChI=1S/C9H12N2.2C6H3N3O7/c1-3-8(7-10-5-1)9-4-2-6-11-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3,5,7,9,11H,2,4,6H2;2*1-2,10H/t9-;;/m0../s1
| Molecular Formula | C9H12N2 |
| Molecular Weight | 148.205 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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
Sat Dec 16 10:06:31 UTC 2023
by
admin
on
Sat Dec 16 10:06:31 UTC 2023
|
| Record UNII |
NCU3KH6Q5Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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NCU3KH6Q5Y
Created by
admin on Sat Dec 16 10:06:31 UTC 2023 , Edited by admin on Sat Dec 16 10:06:31 UTC 2023
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126961347
Created by
admin on Sat Dec 16 10:06:31 UTC 2023 , Edited by admin on Sat Dec 16 10:06:31 UTC 2023
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6255-01-2
Created by
admin on Sat Dec 16 10:06:31 UTC 2023 , Edited by admin on Sat Dec 16 10:06:31 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
