Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H18ClN3O.C4H6O4 |
| Molecular Weight | 445.896 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN1CCN(CC1)C2=NC3=C(OC4=C2C=C(Cl)C=C4)C=CC=C3
InChI
InChIKey=YQZBAXDVDZTKEQ-UHFFFAOYSA-N
InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29710
Created by
admin on Fri Dec 15 15:35:18 UTC 2023 , Edited by admin on Fri Dec 15 15:35:18 UTC 2023
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m6915
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1370702
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248-682-0
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DTXSID3045227
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SUB02977MIG
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759578
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100000091839
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C47590
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27833-64-3
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X59SG0MRYU
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DBSALT001194
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71399
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CHEMBL831
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6476
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X59SG0MRYU
Created by
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
