Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H30N6O3S |
| Molecular Weight | 458.577 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNS(=O)(=O)CC1=CC2=C(NC=C2CCCN3CCN(CC3)C4=C(OC)C=NC=N4)C=C1
InChI
InChIKey=WRZVGHXUPBWIOO-UHFFFAOYSA-N
InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3
| Molecular Formula | C22H30N6O3S |
| Molecular Weight | 458.577 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Avitriptan (BMS-180048), a new 5-HT 1B/1D receptor agonist, has been studied in phase II clinical trials in patients with migraine headaches. Later experiments have confirmed antimigraine activity together with coronary side-effect potential that is why further studies were discontinued.
Originator
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:15:30 UTC 2023
by
admin
on
Fri Dec 15 16:15:30 UTC 2023
|
| Record UNII |
6RS056L04P
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C47794
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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NCI_THESAURUS |
C29710
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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CHEMBL2110755
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100000086661
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C79719
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133081
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DTXSID60164718
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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C103231
Created by
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7561
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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151140-96-4
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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6RS056L04P
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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PRIMARY | |||
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SUB05615MIG
Created by
admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023
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PRIMARY | |||
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AVITRIPTAN
Created by
admin on Fri Dec 15 16:15:31 UTC 2023 , Edited by admin on Fri Dec 15 16:15:31 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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TARGET -> AGONIST |
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TARGET -> AGONIST |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| The bloodto-plasma ratio | PHARMACOKINETIC |
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| Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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| Biological Half-life | PHARMACOKINETIC |
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DOSE |
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