Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H23F6N5O3.H2O |
| Molecular Weight | 621.5303 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC5=C4C=CC=N5)C(=O)N1CC(F)(F)F)C6=C(F)C(F)=CC=C6F
InChI
InChIKey=DNQNJYKTHVZTIE-XNWQQXPHSA-N
InChI=1S/C29H23F6N5O3.H2O/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43;/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43);1H2/t13-,16-,20+,28+;/m1./s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C29H23F6N5O3 |
| Molecular Weight | 603.515 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
MK-8031 (also known as Atogepant) is piperidinonylcarboxamideazaindane derivative patented by Merck Sharp & Dohme Corp as CGRP receptor antagonist useful for prevention and treatment of Migraine. A press release in June 2018 announced positive results for MK-8031, in a Phase 2 trial of daily use for episodic migraine prevention. MK-8031appeared to show good efficacy in migraine prevention and no significant liver toxicity signal at any dose despite daily dosing for 3 months. Phase III clinical trial was initiated in 2019 and currently in progress.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:03:39 GMT 2023
by
admin
on
Sat Dec 16 19:03:39 GMT 2023
|
| Record UNII |
J5C8QEM2XX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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118023587
Created by
admin on Sat Dec 16 19:03:40 GMT 2023 , Edited by admin on Sat Dec 16 19:03:40 GMT 2023
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J5C8QEM2XX
Created by
admin on Sat Dec 16 19:03:40 GMT 2023 , Edited by admin on Sat Dec 16 19:03:40 GMT 2023
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1488325-98-9
Created by
admin on Sat Dec 16 19:03:40 GMT 2023 , Edited by admin on Sat Dec 16 19:03:40 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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