Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H20N4O2.C4H6O6 |
| Molecular Weight | 462.4531 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CC[C@@]23[C@H]4OC5=C2C(C[C@@H]1[C@@H]3CC[C@H]4N=[N+]=[N-])=CC=C5O
InChI
InChIKey=UBRIRESUJNSOTM-DZCPRRRCSA-N
InChI=1S/C17H20N4O2.C4H6O6/c1-21-7-6-17-10-3-4-11(19-20-18)16(17)23-15-13(22)5-2-9(14(15)17)8-12(10)21;5-1(3(7)8)2(6)4(9)10/h2,5,10-12,16,22H,3-4,6-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11+,12+,16-,17-;1-,2-/m01/s1
| Molecular Formula | C17H20N4O2 |
| Molecular Weight | 312.3663 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:53:46 GMT 2025
by
admin
on
Mon Mar 31 17:53:46 GMT 2025
|
| Record UNII |
U5EHE196TH
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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71587165
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DTXSID20200040
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U5EHE196TH
Created by
admin on Mon Mar 31 17:53:46 GMT 2025 , Edited by admin on Mon Mar 31 17:53:46 GMT 2025
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52063-92-0
Created by
admin on Mon Mar 31 17:53:46 GMT 2025 , Edited by admin on Mon Mar 31 17:53:46 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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