Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H25NO.CH4O3S |
| Molecular Weight | 403.535 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChIKey=CPFJLLXFNPCTDW-BWSPSPBFSA-N
InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20+;
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29704
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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169913
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1061005
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205-048-8
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C28864
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18927
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SUB31964
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WMJ8TL7510
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132-17-2
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3049
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CHEMBL1201203
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WMJ8TL7510
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m2394
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admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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DTXSID0045096
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DBSALT000894
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100000124563
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ACTIVE MOIETY
SUBSTANCE RECORD