Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H20N2O2.C4H4O4 |
| Molecular Weight | 364.393 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.COC1=C(CC2=NCCN2)C(C)=C(OC)C(C)=C1
InChI
InChIKey=GEFXHCLQNBFLHX-WLHGVMLRSA-N
InChI=1S/C14H20N2O2.C4H4O4/c1-9-7-12(17-3)11(10(2)14(9)18-4)8-13-15-5-6-16-13;5-3(6)1-2-4(7)8/h7H,5-6,8H2,1-4H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;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 | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| 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
Mon Mar 31 21:25:02 GMT 2025
by
admin
on
Mon Mar 31 21:25:02 GMT 2025
|
| Record UNII |
TQ4H2AG3JI
|
| 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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Code | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C29704
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
11954374
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
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PRIMARY | |||
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35100-41-5
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
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PRIMARY | |||
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300000055435
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
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PRIMARY | |||
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TQ4H2AG3JI
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
|
PRIMARY | |||
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CHEMBL2110835
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025
|
PRIMARY | |||
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C78072
Created by
admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 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 |