Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H14N2O3S.C7H17NO5 |
| Molecular Weight | 461.53 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(C)CC1=C(C)C2=C(S1)N=C(NC2=O)C(O)=O
InChI
InChIKey=OPEPFDHEYUYTMO-WZTVWXICSA-N
InChI=1S/C12H14N2O3S.C7H17NO5/c1-5(2)4-7-6(3)8-10(15)13-9(12(16)17)14-11(8)18-7;1-8-2-4(10)6(12)7(13)5(11)3-9/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29714
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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| Code System | Code | Type | Description | ||
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C76766
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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PRIMARY | |||
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15917700
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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CHEMBL2111019
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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7GWN8D7165
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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PRIMARY | |||
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DTXSID701003195
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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PRIMARY | |||
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83198-90-7
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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PRIMARY | |||
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U-23
Created by
admin on Fri Dec 15 16:29:08 UTC 2023 , Edited by admin on Fri Dec 15 16:29:08 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
