Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O2.C5H10O2 |
| Molecular Weight | 436.5433 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCC(O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]
InChI
InChIKey=WDFVBOJTZYGIHF-ZEYGOCRCSA-N
InChI=1S/C21H22N2O2.C5H10O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-2-3-4-5(6)7/h1-5,13,16-17,19-20H,6-11H2;2-4H2,1H3,(H,6,7)/t13-,16-,17-,19-,20-,21+;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C737
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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| Code System | Code | Type | Description | ||
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6101-07-1
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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PRIMARY | |||
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CHEMBL227934
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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C95054
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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21155864
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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L64K0BL9AU
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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PRIMARY | |||
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DTXSID90976487
Created by
admin on Fri Dec 15 15:36:58 GMT 2023 , Edited by admin on Fri Dec 15 15:36:58 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
