Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H25ClN2O5.C4H4O4 |
Molecular Weight | 524.948 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C2=C(Cl)C=CC=C2)C(=O)OC
InChI
InChIKey=TZNOWAJJWCGILX-BTJKTKAUSA-N
InChI=1S/C20H25ClN2O5.C4H4O4/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;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C20H25ClN2O5 |
Molecular Weight | 408.876 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:24:15 UTC 2023
by
admin
on
Fri Dec 15 15:24:15 UTC 2023
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Record UNII |
CQ27G2BZJM
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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 |
C333
Created by
admin on Fri Dec 15 15:24:15 UTC 2023 , Edited by admin on Fri Dec 15 15:24:15 UTC 2023
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C65230
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m1757
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PRIMARY | Merck Index | ||
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SUB00476MIG
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DBSALT001056
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6435922
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CQ27G2BZJM
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DTXSID601027708
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100000089370
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W-106
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88150-47-4
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CHEMBL1491
Created by
admin on Fri Dec 15 15:24:15 UTC 2023 , Edited by admin on Fri Dec 15 15:24:15 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |