Details
Stereochemistry | MIXED |
Molecular Formula | C21H25NO3S |
Molecular Weight | 371.493 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC2=C(CCC(CN[C@H]3CC[C@H](OC4=CC=CC=C4)[C@H]3O)C2=O)S1
InChI
InChIKey=IMKMRGOTDDUQHF-MAHSACTOSA-N
InChI=1S/C21H25NO3S/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15/h2-6,11,14,17-18,21-22,24H,7-10,12H2,1H3/t14?,17-,18-,21-/m0/s1
Molecular Formula | C21H25NO3S |
Molecular Weight | 371.493 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:53:45 GMT 2023
by
admin
on
Fri Dec 15 18:53:45 GMT 2023
|
Record UNII |
1E3N5X9H1Y
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Official Name | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C270
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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Code System | Code | Type | Description | ||
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126282
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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95588-08-2
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admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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SUB11101MIG
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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100000077240
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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1E3N5X9H1Y
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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CHEMBL2111148
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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C152644
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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PRIMARY | |||
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5881
Created by
admin on Fri Dec 15 18:53:45 GMT 2023 , Edited by admin on Fri Dec 15 18:53:45 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |