Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H19N3OS |
| Molecular Weight | 313.417 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C1[C@H]2C[C@@H]3CN(C2)C[C@H]1[C@@H]3OC4=NN=C(S4)C5=CC=CC=C5
InChI
InChIKey=QZDCYUCETTWCMO-WTGKZIDZSA-N
InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2/t11-,13-,14+,15-
| Molecular Formula | C17H19N3OS |
| Molecular Weight | 313.417 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:44:03 GMT 2023
by
admin
on
Sat Dec 16 00:44:03 GMT 2023
|
| Record UNII |
WX8LOM674D
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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CHEMBL3545231
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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PRIMARY | |||
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300000036951
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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PRIMARY | |||
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1620388-44-4
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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24795933
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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PRIMARY | |||
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WX8LOM674D
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
|
PRIMARY | |||
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1026134-63-3
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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PRIMARY | |||
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9998
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
|
PRIMARY | |||
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1026687-03-5
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
|
ALTERNATIVE | |||
|
C170209
Created by
admin on Sat Dec 16 00:44:03 GMT 2023 , Edited by admin on Sat Dec 16 00:44:03 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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MAJOR
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SALT/SOLVATE -> PARENT | |||
|
TARGET -> AGONIST |
ALPHA 7 IN VITRO DATA: Ki = 27 +/- 0.9 nM
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METABOLIC ENZYME -> SUBSTRATE | |||
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EXCRETED UNCHANGED |
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|
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METABOLIC ENZYME -> SUBSTRATE |
10% conversion to M1
|
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|
EXCRETED UNCHANGED |
FECAL
|
||
|
METABOLIC ENZYME -> SUBSTRATE |
100% conversion to M1
MAJOR
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METABOLIC ENZYME -> SUBSTRATE |
2.1% conversion to M1
|
||
|
METABOLIC ENZYME -> SUBSTRATE |
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|
METABOLIC ENZYME -> SUBSTRATE |
3.2% conversion to M1
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|
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
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SINGLE ORAL DOSE |
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| Biological Half-life | PHARMACOKINETIC |
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SINGLE ORAL DOSE |
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