Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H24ClN3O2.C4H6O5 |
Molecular Weight | 507.964 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(CC(O)=O)C(O)=O.COC1=C(C=C(Cl)C(N)=C1)C(=O)NC2CCN(CC3=CC=CC=C3)CC2
InChI
InChIKey=NYNKCGWJPNZJMI-UHFFFAOYSA-N
InChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)
Molecular Formula | C4H6O5 |
Molecular Weight | 134.0874 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C20H24ClN3O2 |
Molecular Weight | 373.876 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:21 UTC 2023
by
admin
on
Fri Dec 15 15:55:21 UTC 2023
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Record UNII |
H9490V5216
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66883
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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Code System | Code | Type | Description | ||
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42503
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DTXSID20973227
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admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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100000090326
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admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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260-874-6
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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SUB11828MIG
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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CHEMBL325109
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admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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57645-91-7
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admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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H9490V5216
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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C83629
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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m3612
Created by
admin on Fri Dec 15 15:55:21 UTC 2023 , Edited by admin on Fri Dec 15 15:55:21 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |