Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H29FN2O3 |
| Molecular Weight | 472.5506 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C2O[C@H]3C4=C(C[C@@]5(O)[C@H]6CC(C=C1)=C2[C@@]35CCN6CC7CC7)C8=C9N4CCCC9=CC(F)=C8
InChI
InChIKey=TYHUVMCMIRSIAI-KZNIJNHCSA-N
InChI=1S/C29H29FN2O3/c30-18-10-17-2-1-8-32-24(17)19(12-18)20-13-29(34)22-11-16-5-6-21(33)26-23(16)28(29,27(35-26)25(20)32)7-9-31(22)14-15-3-4-15/h5-6,10,12,15,22,27,33-34H,1-4,7-9,11,13-14H2/t22-,27+,28+,29-/m1/s1
| Molecular Formula | C29H29FN2O3 |
| Molecular Weight | 472.5506 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:21:22 GMT 2025
by
admin
on
Mon Mar 31 23:21:22 GMT 2025
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| Record UNII |
4NV3DQ8L8T
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| Record Status |
Validated (UNII)
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| Record Version |
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4NV3DQ8L8T
Created by
admin on Mon Mar 31 23:21:22 GMT 2025 , Edited by admin on Mon Mar 31 23:21:22 GMT 2025
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189015-24-5
Created by
admin on Mon Mar 31 23:21:22 GMT 2025 , Edited by admin on Mon Mar 31 23:21:22 GMT 2025
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11691355
Created by
admin on Mon Mar 31 23:21:22 GMT 2025 , Edited by admin on Mon Mar 31 23:21:22 GMT 2025
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|---|---|---|---|---|
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The ED(50) values of NTI and compound 1b by intraperitoneal injections were 104 microg/kg and 2.07 microg/kg, respectively.
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ACTIVE MOIETY |
Synthesis of chemical compound.
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