Details
| Stereochemistry | MIXED |
| Molecular Formula | C18H20ClNO.C4H4O4 |
| Molecular Weight | 417.883 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=SIVIYOJJUYSAGX-BTJKTKAUSA-N
InChI=1S/C18H20ClNO.C4H4O4/c1-20-12-11-17(13-20)21-18(14-5-3-2-4-6-14)15-7-9-16(19)10-8-15;5-3(6)1-2-4(7)8/h2-10,17-18H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C18H20ClNO |
| Molecular Weight | 301.811 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| 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 |
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13655030
guinea pig: 1.1 mg/kg
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:28:25 GMT 2025
by
admin
on
Mon Mar 31 18:28:25 GMT 2025
|
| Record UNII |
T38B9T1F30
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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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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Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29578
Created by
admin on Mon Mar 31 18:28:25 GMT 2025 , Edited by admin on Mon Mar 31 18:28:25 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5356652
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CHEMBL336542
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T38B9T1F30
Created by
admin on Mon Mar 31 18:28:25 GMT 2025 , Edited by admin on Mon Mar 31 18:28:25 GMT 2025
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C76677
Created by
admin on Mon Mar 31 18:28:25 GMT 2025 , Edited by admin on Mon Mar 31 18:28:25 GMT 2025
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64540
Created by
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300000055038
Created by
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5560-75-8
Created by
admin on Mon Mar 31 18:28:25 GMT 2025 , Edited by admin on Mon Mar 31 18:28:25 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 |