Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H25ClN2O2.C4H4O4 |
| Molecular Weight | 464.939 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C3=CC(Cl)=CC4=C3OC(C)(C)C4
InChI
InChIKey=HAFQATMFFHYNPN-QRPZPOMXSA-N
InChI=1S/C19H25ClN2O2.C4H4O4/c1-19(2)10-11-6-12(20)7-16(17(11)24-19)18(23)21-13-8-14-4-5-15(9-13)22(14)3;5-3(6)1-2-4(7)8/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,15-;
| Molecular Formula | C19H25ClN2O2 |
| Molecular Weight | 348.867 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
CNS Activity
Originator
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:38:34 GMT 2025
by
admin
on
Mon Mar 31 18:38:34 GMT 2025
|
| Record UNII |
7I5347HD9B
|
| 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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Common Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C94726
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C064877
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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C95281
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admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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DTXSID1021459
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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123482-23-5
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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CC-29
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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CHEMBL2111147
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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7I5347HD9B
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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PRIMARY | |||
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300000055456
Created by
admin on Mon Mar 31 18:38:34 GMT 2025 , Edited by admin on Mon Mar 31 18:38:34 GMT 2025
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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 |