Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H18O3 |
Molecular Weight | 222.2802 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](C(O)=O)C1=CC=C(CC(C)(C)O)C=C1
InChI
InChIKey=UJHKVYPPCJBOSG-VIFPVBQESA-N
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/t9-/m0/s1
Molecular Formula | C13H18O3 |
Molecular Weight | 222.2802 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:31:15 GMT 2023
by
admin
on
Sat Dec 16 13:31:15 GMT 2023
|
Record UNII |
RY95O53234
|
Record Status |
Validated (UNII)
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Record Version |
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-
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12617415
Created by
admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
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58534-39-7
Created by
admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
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RY95O53234
Created by
admin on Sat Dec 16 13:31:15 GMT 2023 , Edited by admin on Sat Dec 16 13:31:15 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |
Metabolism by CYP2C9 (90%) and CYP2C19 (10%).
|