Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H26F6N2O3 |
| Molecular Weight | 516.476 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](OC[C@]1(CC[C@]2(CN1)NC(=O)C[C@@H]2O)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChIKey=FCWJCWUZMPITLV-OYGALRCHSA-N
InChI=1S/C25H26F6N2O3/c1-15(16-9-18(24(26,27)28)11-19(10-16)25(29,30)31)36-14-23(17-5-3-2-4-6-17)8-7-22(13-32-23)20(34)12-21(35)33-22/h2-6,9-11,15,20,32,34H,7-8,12-14H2,1H3,(H,33,35)/t15-,20+,22-,23-/m1/s1
| Molecular Formula | C25H26F6N2O3 |
| Molecular Weight | 516.476 |
| 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
Sat Dec 16 11:02:11 UTC 2023
by
admin
on
Sat Dec 16 11:02:11 UTC 2023
|
| Record UNII |
EFL393CK3S
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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2238886-63-8
Created by
admin on Sat Dec 16 11:02:11 UTC 2023 , Edited by admin on Sat Dec 16 11:02:11 UTC 2023
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PRIMARY | |||
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EFL393CK3S
Created by
admin on Sat Dec 16 11:02:11 UTC 2023 , Edited by admin on Sat Dec 16 11:02:11 UTC 2023
|
PRIMARY | |||
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135390916
Created by
admin on Sat Dec 16 11:02:11 UTC 2023 , Edited by admin on Sat Dec 16 11:02:11 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
ANTAGONIST
Ki
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
The metabolite SCH 720881 (M19) which
accounted 25% of the increased exposure to total plasma radioactivity was identified as a major
circulating metabolite of rolapitant.
MAJOR
PLASMA
|
