Almotriptan (hydrochloride)

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Description

Almotriptan hydrochloride is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan hydrochloride can used in study of migraine attacks[1].

CAS Number

154323-46-3

UNSPSC

12352005

Target

5-HT Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/almotriptan-hydrochloride.html

Solubility

10 mM in DMSO

Smiles

CN(CCC1=CNC2=C1C=C(CS(=O)(N3CCCC3)=O)C=C2)C.Cl

Molecular Formula

C17H26ClN3O2S

Molecular Weight

371.93

References & Citations

[1]Bou J, et al. Pharmacological characterization of almotriptan: an indolic 5-HT receptor agonist for the treatment of migraine. Eur J Pharmacol, 2000. 410 (1) : p. 33-41.|[2]Gras J, et al. Safety profile of almotriptan, a new antimigraine agent. Effects on central nervous system, renal function and respiratory dynamics. Arzneimittelforschung, 2001. 51 (9) : p. 726-32.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Phase 4

Isoform

5-HT1 Receptor

Chemical Information

Almotriptan Hydrochloride

CAS Number	154323-46-3
PubChem CID	19417476
IUPAC Name	N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;hydrochloride
Molecular Formula	C17H26ClN3O2S
Molecular Weight	371.9
Topological Polar Surface Area	64.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	483

SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.Cl

InChI

InChI=1S/C17H25N3O2S.ClH/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;1H

InChIKey

FUORSACTMVYHCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154323-46-3

CID: 19417476

Formula: C17H26ClN3O2S

MW: 371.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	371.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	371.1434259
Monoisotopic Mass	371.1434259
Topological Polar Surface Area	64.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Almotriptan (hydrochloride)

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