Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H18ClN3.CH4O3S |
| Molecular Weight | 395.904 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]12CC3=C(Cl)NC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CC#N)CN2C
InChI
InChIKey=WXHDJVDIJQDJMK-AYJWUPBJSA-N
InChI=1S/C17H18ClN3.CH4O3S/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14;1-5(2,3)4/h2-4,10,12,15,20H,5,7-9H2,1H3;1H3,(H,2,3,4)/t10-,12-,15-;/m1./s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C66884
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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257-225-4
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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CHEMBL80937
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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51473-23-5
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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C81080
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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20055399
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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C084809
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY | |||
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1945N48N9E
Created by
admin on Fri Dec 15 15:14:29 UTC 2023 , Edited by admin on Fri Dec 15 15:14:29 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
