Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H20ClN3O3.ClH |
| Molecular Weight | 386.273 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1C(=O)COC2=C(C=C(Cl)C=C12)C(=O)NC3CN4CCC3CC4
InChI
InChIKey=DBMKBKPJYAHLQP-UHFFFAOYSA-N
InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H
| 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 | C17H20ClN3O3 |
| Molecular Weight | 349.812 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:37:08 UTC 2023
by
admin
on
Fri Dec 15 16:37:08 UTC 2023
|
| Record UNII |
2BSS7XL60S
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C94726
Created by
admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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123040-16-4
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100000085347
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2BSS7XL60S
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DTXSID00924358
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admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023
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m2163
Created by
admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023
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PRIMARY | Merck Index | ||
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C77260
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SUB00639MIG
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141922-90-9
Created by
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SUPERSEDED | |||
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115000
Created by
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CHEMBL1598608
Created by
admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |