Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25ClN2O5.C4H6O5 |
| Molecular Weight | 542.963 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CC(O)=O)C(O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C2=C(Cl)C=CC=C2)C(=O)OC
InChI
InChIKey=ICLGPDCMPQYWIA-OSRSGTIQSA-N
InChI=1S/C20H25ClN2O5.C4H6O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-2(4(8)9)1-3(6)7/h5-8,17,23H,4,9-11,22H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)/t17-;2-/m00/s1
Approval Year
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C333
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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| Code System | Code | Type | Description | ||
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736178-83-9
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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S0QL3IT20J
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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46174133
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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DTXSID10223804
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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RR-103
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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300000044490
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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C77826
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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CHEMBL2111097
Created by
admin on Fri Dec 15 16:02:21 UTC 2023 , Edited by admin on Fri Dec 15 16:02:21 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD