Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H25ClN2O3.C6H6O3S |
Molecular Weight | 547.063 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.OC(=O)CCCN2CCC(CC2)O[C@@H](C3=CC=C(Cl)C=C3)C4=CC=CC=N4
InChI
InChIKey=UDGHXQPQKQPSBB-BOXHHOBZSA-N
InChI=1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1
Molecular Formula | C21H25ClN2O3 |
Molecular Weight | 388.888 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C6H6O3S |
Molecular Weight | 158.175 |
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 16:04:20 UTC 2023
by
admin
on
Fri Dec 15 16:04:20 UTC 2023
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Record UNII |
6W18MO1QR3
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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 |
C29578
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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Code System | Code | Type | Description | ||
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WW-121
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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DTXSID80172577
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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C511534
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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DBSALT000017
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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658552
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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PRIMARY | RxNorm | ||
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190786-44-8
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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164521
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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SUB22587
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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6W18MO1QR3
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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31281
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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CHEMBL1201758
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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6W18MO1QR3
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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100000086310
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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C83550
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 UTC 2023
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m2421
Created by
admin on Fri Dec 15 16:04:20 UTC 2023 , Edited by admin on Fri Dec 15 16:04:20 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 |