AVITRIPTAN

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

Structure Search

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

HIDE SMILES / InChI

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:15:30 UTC 2023` Edited by `admin` on `Fri Dec 15 16:15:30 UTC 2023`
Record UNII	6RS056L04P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AVITRIPTAN

Official Name

English

1H-INDOLE-5-METHANESULFONAMIDE, 3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-N-METHYL-

Systematic Name

English

3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-N-METHYLINDOLE-5-METHANESULFONAMIDE

Systematic Name

English

avitriptan [INN]

Common Name

English

Classification Tree Code System Code

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

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

Code System Code Type Description

ChEMBL

CHEMBL2110755

Created by admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023

PRIMARY

SMS_ID

100000086661

Created by admin on Fri Dec 15 16:15:31 UTC 2023 , Edited by admin on Fri Dec 15 16:15:31 UTC 2023

PRIMARY

NCI_THESAURUS

C79719

Created by admin on Fri Dec 15 16:15:31 UTC 2023 , Edited by admin on Fri Dec 15 16:15:31 UTC 2023

PRIMARY

PUBCHEM

133081

Created by admin on Fri Dec 15 16:15:31 UTC 2023 , Edited by admin on Fri Dec 15 16:15:31 UTC 2023

PRIMARY

EPA CompTox

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

PRIMARY

MESH

C103231

Created by admin on Fri Dec 15 16:15:30 UTC 2023 , Edited by admin on Fri Dec 15 16:15:30 UTC 2023

PRIMARY

INN

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

PRIMARY

CAS

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

PRIMARY

FDA UNII

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

PRIMARY

EVMPD

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

PRIMARY

WIKIPEDIA

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

PRIMARY

Related Record Type Details


					2G25KE3954

AVITRIPTAN FUMARATE

SALT/SOLVATE -> PARENT

Amount:


					ZI18M2JAY5

5-HYDROXYTRYPTAMINE RECEPTOR 1D

TARGET -> AGONIST

Amount:


					UE9PX4FTL0

5-HYDROXYTRYPTAMINE RECEPTOR 1B

TARGET -> AGONIST

Amount:

Related Record Type Details


					6RS056L04P

AVITRIPTAN

ACTIVE MOIETY

Amount:

Name	Property Type	Parameters
The bloodto-plasma ratio	PHARMACOKINETIC

Tmax	PHARMACOKINETIC	ORAL ADMINISTRATION DOSE

Biological Half-life	PHARMACOKINETIC	DOSE ORAL ADMINISTRATION