Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21NO2S |
| Molecular Weight | 315.4316 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCc1cc2c(CN[C@]3([H])CCc4cc(c(cc4[C@@]23[H])O)O)s1
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 | 315.4316 |
| 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 Jun 26 04:19:42 UTC 2021
by
admin
on
Sat Jun 26 04:19:42 UTC 2021
|
| Record UNII |
S3ZIH99X6E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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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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171961-95-8
Created by
admin on Sat Jun 26 04:19:42 UTC 2021 , Edited by admin on Sat Jun 26 04:19:42 UTC 2021
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PRIMARY | |||
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A-86929
Created by
admin on Sat Jun 26 04:19:42 UTC 2021 , Edited by admin on Sat Jun 26 04:19:42 UTC 2021
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PRIMARY | |||
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9841398
Created by
admin on Sat Jun 26 04:19:42 UTC 2021 , Edited by admin on Sat Jun 26 04:19:42 UTC 2021
|
PRIMARY | |||
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187661-43-4
Created by
admin on Sat Jun 26 04:19:42 UTC 2021 , Edited by admin on Sat Jun 26 04:19:42 UTC 2021
|
NON-SPECIFIC STEREOCHEMISTRY | |||
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S3ZIH99X6E
Created by
admin on Sat Jun 26 04:19:42 UTC 2021 , Edited by admin on Sat Jun 26 04:19:42 UTC 2021
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> AGONIST |
AGONIST
Ki
|
||
|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> AGONIST |
AGONIST
EC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PRODRUG -> METABOLITE ACTIVE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
