Molecular Structure of Almotriptan (CAS NO.154323-57-6):
IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Molecular Formula: C17H25N3O2S
Molar mass: 335.4643 g/mol
Density: 1.27 g/cm3
Flash Point: 279.6 °C
Index of Refraction: 1.633
Boiling Point: 538.7 °C at 760 mmHg
Vapour Pressure: 1.13E-11 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 4
H bond acceptors: 5
Freely Rotating Bonds: 6
Polar Surface Area: 53.93 Å2
InChI
InChI=1/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
Smiles
c1c(cc2c(c[nH]c2c1)CCN(C)C)CS(N1CCCC1)(=O)=O
Product Categories: Heterocyclic Compounds; Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals; APIs
Synonyms: Pyrrolidine,1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]- (9CI) ; Almotriptan malate
Almotriptan (154323-57-6), which also can be called for Almogran ; 1-[[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]pyrrolidine ; N,N-Dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]-ethanamine , it is a triptan drug discovered by Almirall Prodesfarma and licensed to Ortho-McNeil for the treatment of migraine headaches. It is available in strengths of 6.25 and 12.5 mg as a tablet and is indicated for the acute treatment of migraine with or without aura in adults.
In the United States and Canada Almotriptan is available under the name Axert only by prescription. Axert for oral administration contains almotriptan malate equivalent to 6.25 or 12.5 mg of almotriptan. Each compressed tablet contains the following inactive ingredients: cellulose, mannitol, povidone, sodium stearyl fumarate, sodium starch glycolate, titanium dioxide, polyethylene glycol, hypromellose, propylene glycol, iron oxide (6.25 mg only), FD & C Blue No. 2 (12.5 mg only), and carnauba wax. The brand Almogran is used in Belgium, France, Finland, Italy, Portugal, the United Kingdom and Spain. Each 12.5 mg. tablet contains the following inactive ingredients: carnauba wax, indigo carmine (E132), hypromellose, macrogol 400, microcrystalline cellulose, mannitol, povidone, sodium starch glycollate, propylene glycol, titanium dioxide (E171) and sodium stearyl fumarate.
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