Details
Stereochemistry | EPIMERIC |
Molecular Formula | C18H18N6O5S2.C3H8O2 |
Molecular Weight | 538.597 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)CO.[H][C@]12SCC(CSC3=CN=NN3)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C4=CC=C(O)C=C4)C(O)=O
InChI
InChIKey=CKOIKOHDEYTLFR-PFBPGKLMSA-N
InChI=1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1
Molecular Formula | C18H18N6O5S2 |
Molecular Weight | 462.503 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C3H8O2 |
Molecular Weight | 76.0944 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:57:12 UTC 2023
by
admin
on
Fri Dec 15 18:57:12 UTC 2023
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Record UNII |
3731IA5GI9
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID00972733
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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PRIMARY | |||
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57235-40-2
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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100000091867
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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SUB11797MIG
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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64217-62-5
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admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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6410757
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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3731IA5GI9
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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m3187
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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PRIMARY | Merck Index | ||
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C98215
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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260-642-4
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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CHEMBL286398
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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DBSALT002708
Created by
admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |