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
Fri Dec 15 16:27:20 GMT 2023
by
admin
on
Fri Dec 15 16:27:20 GMT 2023
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Record UNII |
T38B9T1F30
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Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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Code System | Code | Type | Description | ||
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5356652
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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PRIMARY | |||
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CHEMBL336542
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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PRIMARY | |||
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T38B9T1F30
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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PRIMARY | |||
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C76677
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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PRIMARY | |||
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64540
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 2023
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PRIMARY | |||
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5560-75-8
Created by
admin on Fri Dec 15 16:27:20 GMT 2023 , Edited by admin on Fri Dec 15 16:27:20 GMT 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 |