Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H29NO4S.ClH |
Molecular Weight | 512.06 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC=C(C=C1)C2=C(OC3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5S2
InChI
InChIKey=NHSNLUIMAQQXGR-UHFFFAOYSA-N
InChI=1S/C28H29NO4S.ClH/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29;/h5-14,19,30H,2-4,15-18H2,1H3;1H
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C28H29NO4S |
Molecular Weight | 475.599 |
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 15:31:30 UTC 2023
by
admin
on
Fri Dec 15 15:31:30 UTC 2023
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Record UNII |
FU88PI0433
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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 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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Code System | Code | Type | Description | ||
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FU88PI0433
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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m2080
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID40939527
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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182133-27-3
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admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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DBSALT002002
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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KK-31
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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179338
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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C2460
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admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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300000045508
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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CHEMBL226267
Created by
admin on Fri Dec 15 15:31:30 UTC 2023 , Edited by admin on Fri Dec 15 15:31:30 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |