Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18N6O10S2.3H2O |
| Molecular Weight | 572.524 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.NC1=NC(=CS1)C(=N\OC2(CC2)C(O)=O)\C(=O)N[C@H]3[C@@H](CN4CCOC4=O)N(C3=O)S(O)(=O)=O
InChI
InChIKey=HPJNLHTVDWIRLU-SVLIDPBPSA-N
InChI=1S/C16H18N6O10S2.3H2O/c17-14-18-7(6-33-14)9(20-32-16(1-2-16)13(25)26)11(23)19-10-8(5-21-3-4-31-15(21)27)22(12(10)24)34(28,29)30;;;/h6,8,10H,1-5H2,(H2,17,18)(H,19,23)(H,25,26)(H,28,29,30);3*1H2/b20-9-;;;/t8-,10+;;;/m1.../s1
| Molecular Formula | C16H18N6O10S2 |
| Molecular Weight | 518.478 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:06:42 GMT 2023
by
admin
on
Fri Dec 15 16:06:42 GMT 2023
|
| Record UNII |
005B24W9YP
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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2091840-43-4
Created by
admin on Fri Dec 15 16:06:42 GMT 2023 , Edited by admin on Fri Dec 15 16:06:42 GMT 2023
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PRIMARY | |||
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005B24W9YP
Created by
admin on Fri Dec 15 16:06:42 GMT 2023 , Edited by admin on Fri Dec 15 16:06:42 GMT 2023
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PRIMARY | |||
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131635037
Created by
admin on Fri Dec 15 16:06:42 GMT 2023 , Edited by admin on Fri Dec 15 16:06:42 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |