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Almotriptan

CAT: 0931-T21231-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21231-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154323-57-6
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
>99.99%
Bioactivity
Almotriptan (LAS 31416) is a 5-HT1B/1D-receptor agonist used to treat migraine.Almotriptan is a triptan drug for treatment of migraine headaches.Binding of the drug to the receptor leads to vasoconstriction of the cranial blood vessels and thus affects the redistribution of cranial blood flow. Almotriptan significantly increases cerebral blood flow and reduces blood flow through extracerebral cranial vessels.
Smiles
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
Molecular Formula
C17H25N3O2S
Molecular Weight
335.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Almotriptan

Almotriptan is an indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of indoles, a tertiary amine and a sulfonamide.

CAS Number154323-57-6
PubChem CID123606
IUPAC NameN,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Molecular FormulaC17H25N3O2S
Molecular Weight335.5
XLogP1.6
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3
InChI
InChI=1S/C17H25N3O2S/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
InChIKey
WKEMJKQOLOHJLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Almotriptan
CAS: 154323-57-6
CID: 123606
Formula: C17H25N3O2S
MW: 335.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.5
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass335.16674822
Monoisotopic Mass335.16674822
Topological Polar Surface Area64.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5764789Almotriptan
B2243-5.1Almotriptan Malate
CS-T-17943Didesmethyl Almotriptan
MBS6117690-01Almotriptan Hydrochloride
TRC-S683125-25MGSpiro Almotriptan
HY-W335976Almotriptan (hydrochloride)
CS-O-61008Almotriptan-d12

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