Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H16N4O6S.2C6H15N |
Molecular Weight | 618.788 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
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=BDPXKFLSDNGJMA-HWROMZCQSA-N
InChI=1S/C18H16N4O6S.2C6H15N/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/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 | 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 |
ZTD03X861K
|
Record Status |
Validated (UNII)
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Record Version |
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-
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13549-27-4
Created by
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ZTD03X861K
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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72941504
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 | ||
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SOLVATE->ANHYDROUS |