Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H25ClN4O3 |
| Molecular Weight | 416.901 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | CIS |
SHOW SMILES / InChI
SMILES
C[C@H]1CN(C[C@@H](C)O1)C2=CC(C(=O)NC3=NC=C(Cl)C=C3)=C4CCOCCC4=N2
InChI
InChIKey=BHKOLTFRNPCBQF-OKILXGFUSA-N
InChI=1S/C21H25ClN4O3/c1-13-11-26(12-14(2)29-13)20-9-17(16-5-7-28-8-6-18(16)24-20)21(27)25-19-4-3-15(22)10-23-19/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,23,25,27)/t13-,14+
| Molecular Formula | C21H25ClN4O3 |
| Molecular Weight | 416.901 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 21:06:05 GMT 2025
by
admin
on
Tue Apr 01 21:06:05 GMT 2025
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| Record UNII |
KMB7XZ9340
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| Record Status |
Validated (UNII)
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| Record Version |
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126600669
Created by
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KMB7XZ9340
Created by
admin on Tue Apr 01 21:06:05 GMT 2025 , Edited by admin on Tue Apr 01 21:06:05 GMT 2025
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2079871-97-7
Created by
admin on Tue Apr 01 21:06:05 GMT 2025 , Edited by admin on Tue Apr 01 21:06:05 GMT 2025
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ACTIVE MOIETY |
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![Structure of rel-N-(5-Chloro-2-pyridinyl)-2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide](/img/00723916-820c-4200-994e-7966b5c27399.svg "Structure of rel-N-(5-Chloro-2-pyridinyl)-2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide")