Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21NO2S |
| Molecular Weight | 315.43 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCC3=CC(O)=C(O)C=C3[C@@]1([H])C4=C(CN2)SC(CCC)=C4
InChI
InChIKey=REHAKLRYABHSQJ-KDOFPFPSSA-N
InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
| Molecular Formula | C18H21NO2S |
| Molecular Weight | 315.43 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:33:27 UTC 2023
by
admin
on
Sat Dec 16 13:33:27 UTC 2023
|
| Record UNII |
S3ZIH99X6E
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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Code | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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DTXSID501028589
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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PRIMARY | |||
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171961-95-8
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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PRIMARY | |||
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A-86929
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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PRIMARY | |||
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9841398
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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PRIMARY | |||
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187661-43-4
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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S3ZIH99X6E
Created by
admin on Sat Dec 16 13:33:28 UTC 2023 , Edited by admin on Sat Dec 16 13:33:28 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> AGONIST |
AGONIST
Ki
|
||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> AGONIST |
AGONIST
EC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PRODRUG -> METABOLITE ACTIVE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
