Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.327 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C2CNCC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
InChI
InChIKey=AIXQQSTVOSFSMO-RBOXIYTFSA-N
InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.327 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:32:01 GMT 2025
by
admin
on
Mon Mar 31 21:32:01 GMT 2025
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| Record UNII |
2BPQ4IVQ21
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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2BPQ4IVQ21
Created by
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41303-74-6
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admin on Mon Mar 31 21:32:01 GMT 2025 , Edited by admin on Mon Mar 31 21:32:01 GMT 2025
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9838394
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admin on Mon Mar 31 21:32:01 GMT 2025 , Edited by admin on Mon Mar 31 21:32:01 GMT 2025
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DTXSID90961611
Created by
admin on Mon Mar 31 21:32:01 GMT 2025 , Edited by admin on Mon Mar 31 21:32:01 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |
Via CYP3A4 template
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |