Details
Stereochemistry | EPIMERIC |
Molecular Formula | C15H23N6O5S.Cl |
Molecular Weight | 434.898 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | Sulfur is S in bioactive form, partially racemizes |
SHOW SMILES / InChI
SMILES
[Cl-].C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N
InChI
InChIKey=DYFPQIYEZQULMZ-XKGORWRGSA-N
InChI=1S/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1
Molecular Formula | C15H23N6O5S |
Molecular Weight | 399.445 |
Charge | 1 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Cl |
Molecular Weight | 35.453 |
Charge | -1 |
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 09:03:34 UTC 2023
by
admin
on
Sat Dec 16 09:03:34 UTC 2023
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Record UNII |
B02SK72839
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Record Status |
Validated (UNII)
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Record Version |
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-
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246-184-8
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90473
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1200828-89-2
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admin on Sat Dec 16 09:03:34 UTC 2023 , Edited by admin on Sat Dec 16 09:03:34 UTC 2023
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DTXSID5032020
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admin on Sat Dec 16 09:03:34 UTC 2023 , Edited by admin on Sat Dec 16 09:03:34 UTC 2023
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24346-00-7
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86866-99-1
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admin on Sat Dec 16 09:03:34 UTC 2023 , Edited by admin on Sat Dec 16 09:03:34 UTC 2023
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401498-35-9
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admin on Sat Dec 16 09:03:34 UTC 2023 , Edited by admin on Sat Dec 16 09:03:34 UTC 2023
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B02SK72839
Created by
admin on Sat Dec 16 09:03:34 UTC 2023 , Edited by admin on Sat Dec 16 09:03:34 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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