Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31F3N2O3 |
| Molecular Weight | 512.5632 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=O)[C@H](N1CCC2=C(C=C(OC)C(OC)=C2)[C@@H]1CCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChIKey=DKMACHNQISHMDN-RPLLCQBOSA-N
InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
| Molecular Formula | C29H31F3N2O3 |
| Molecular Weight | 512.5632 |
| 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
Fri Dec 15 16:07:25 UTC 2023
by
admin
on
Fri Dec 15 16:07:25 UTC 2023
|
| Record UNII |
9KCW39P2EI
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Official Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29728
Created by
admin on Fri Dec 15 16:07:25 UTC 2023 , Edited by admin on Fri Dec 15 16:07:25 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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23727689
Created by
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871224-64-5
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C519150
Created by
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m1567
Created by
admin on Fri Dec 15 16:07:25 UTC 2023 , Edited by admin on Fri Dec 15 16:07:25 UTC 2023
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PRIMARY | Merck Index | ||
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Almorexant
Created by
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8913
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300000034108
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C87423
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DB06673
Created by
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9KCW39P2EI
Created by
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DTXSID801007352
Created by
admin on Fri Dec 15 16:07:25 UTC 2023 , Edited by admin on Fri Dec 15 16:07:25 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |
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