Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H21ClN2.C4H4O4 |
| Molecular Weight | 416.898 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CC\C=C1\C2=CC=CN2CCC3=CC=C(Cl)C=C13
InChI
InChIKey=VYRCMVSAQWJLPL-CXKXOZANSA-N
InChI=1S/C18H21ClN2.C4H4O4/c1-20(2)10-3-5-16-17-13-15(19)8-7-14(17)9-12-21-11-4-6-18(16)21;5-3(6)1-2-4(7)8/h4-8,11,13H,3,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-5+;2-1-
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C18H21ClN2 |
| Molecular Weight | 300.826 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:49:28 GMT 2025
by
admin
on
Mon Mar 31 17:49:28 GMT 2025
|
| Record UNII |
3Q9L107XJB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C29696
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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6436129
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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107407-62-5
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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300000055538
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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C80980
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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CHEMBL2110942
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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Z-49
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
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PRIMARY | |||
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3Q9L107XJB
Created by
admin on Mon Mar 31 17:49:28 GMT 2025 , Edited by admin on Mon Mar 31 17:49:28 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |