Almotriptan malateProduct ingredient for Almotriptan
- Name
- Almotriptan malate
- Drug Entry
- Almotriptan
Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks.
- Accession Number
- DBSALT001204
- Structure
Structure for Almotriptan malate (DBSALT001204)
- Synonyms
- Almotriptan D,L-hydrogenmalate / Almotriptan maleate
- UNII
- PJP312605E
- CAS Number
- 181183-52-8
- Weight
- Average: 469.55
Monoisotopic: 469.188271524 - Chemical Formula
- C21H31N3O7S
- InChI Key
- QHATUKWEVNMHRY-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H25N3O2S.C4H6O5/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;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
- IUPAC Name
- 2-hydroxybutanedioic acid; dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
- SMILES
- OC(CC(O)=O)C(O)=O.CN(C)CCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12
- External Links
- ChemSpider
- 110199
- ChEBI
- 53781
- ChEMBL
- CHEMBL1200521
- Wikipedia
- Almotriptan
- Predicted Properties
Property Value Source Water Solubility 0.121 mg/mL ALOGPS logP 2.04 ALOGPS logP 1.52 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 17.14 Chemaxon pKa (Strongest Basic) 9.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 56.41 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 94.52 m3·mol-1 Chemaxon Polarizability 37.04 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon