Details
Stereochemistry | ACHIRAL |
Molecular Formula | C26H28ClNO.C6H8O7 |
Molecular Weight | 598.083 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C2=CC=CC=C2)\C3=CC=CC=C3
InChI
InChIKey=PYTMYKVIJXPNBD-BTKVJIOYSA-N
InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
Molecular Formula | C26H28ClNO |
Molecular Weight | 405.96 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C6H8O7 |
Molecular Weight | 192.1235 |
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 15:33:10 UTC 2023
by
admin
on
Fri Dec 15 15:33:10 UTC 2023
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Record UNII |
J303A6U9Y6
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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 |
C1821
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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Code System | Code | Type | Description | ||
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C61745
Created by
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CHEMBL954
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DTXSID80226887
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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SUB182287
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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DBSALT002295
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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PRIMARY | |||
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J303A6U9Y6
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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7599-79-3
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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100000168729
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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CD-11
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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6420009
Created by
admin on Fri Dec 15 15:33:10 UTC 2023 , Edited by admin on Fri Dec 15 15:33:10 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |