Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H16N4O6S.2C6H15N.H2O |
| Molecular Weight | 636.803 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CCN(CC)CC.CCN(CC)CC.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=NC4=CC=CC=C4N=C3C(O)=O)C(O)=O
InChI
InChIKey=AYYIDYVYEITOPK-MXAGPWFTSA-N
InChI=1S/C18H16N4O6S.2C6H15N.H2O/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9;2*1-4-7(5-2)6-3;/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28);2*4-6H2,1-3H3;1H2/t11-,12+,15-;;;/m1.../s1
| Molecular Formula | C6H15N |
| Molecular Weight | 101.19 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C18H16N4O6S |
| Molecular Weight | 416.408 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:13:00 GMT 2023
by
admin
on
Sat Dec 16 11:13:00 GMT 2023
|
| Record UNII |
MM86H25K82
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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105022-48-8
Created by
admin on Sat Dec 16 11:13:00 GMT 2023 , Edited by admin on Sat Dec 16 11:13:00 GMT 2023
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PRIMARY | |||
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m9429
Created by
admin on Sat Dec 16 11:13:00 GMT 2023 , Edited by admin on Sat Dec 16 11:13:00 GMT 2023
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PRIMARY | Merck Index | ||
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72941635
Created by
admin on Sat Dec 16 11:13:00 GMT 2023 , Edited by admin on Sat Dec 16 11:13:00 GMT 2023
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PRIMARY | |||
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MM86H25K82
Created by
admin on Sat Dec 16 11:13:00 GMT 2023 , Edited by admin on Sat Dec 16 11:13:00 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
