Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C15H20ClN3O2.ClH.H2O |
| Molecular Weight | 364.267 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.COC1=CC(N)=C(Cl)C=C1C(=O)NC2CN3CCC2CC3
InChI
InChIKey=NPXXKMBXEODDAF-UHFFFAOYSA-N
InChI=1S/C15H20ClN3O2.ClH.H2O/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19;;/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20);1H;1H2
| Molecular Formula | C15H20ClN3O2 |
| Molecular Weight | 309.791 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:40:57 UTC 2023
by
admin
on
Fri Dec 15 17:40:57 UTC 2023
|
| Record UNII |
XL0QQG9B0Y
|
| 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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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C28197
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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NCI_THESAURUS |
C267
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C055971
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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DTXSID4045686
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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19849157
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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CHEMBL18041
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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99617-34-2
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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C152943
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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XL0QQG9B0Y
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY | |||
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X-68
Created by
admin on Fri Dec 15 17:40:57 UTC 2023 , Edited by admin on Fri Dec 15 17:40:57 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |