Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25NO3.CH4O3S.3H2O |
| Molecular Weight | 477.569 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CS(O)(=O)=O.C[C@@H]([C@@H](O)C1=CC=C(O)C=C1)N2CCC(O)(CC2)C3=CC=CC=C3
InChI
InChIKey=LUILKELNVBKKTG-ZOZJKLBQSA-N
InChI=1S/C20H25NO3.CH4O3S.3H2O/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4;;;/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4);3*1H2/t15-,19+;;;;/m0..../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29707
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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| Code System | Code | Type | Description | ||
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C61981
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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9826324
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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CHEMBL17350
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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DTXSID60940514
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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C095106
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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189894-57-3
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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BD2A56I30W
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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PRIMARY | |||
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KK-59
Created by
admin on Fri Dec 15 15:36:25 UTC 2023 , Edited by admin on Fri Dec 15 15:36:25 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD