Naratriptan hydrochlorideProduct ingredient for Naratriptan

Name
Naratriptan hydrochloride
Drug Entry
Naratriptan

Naratriptan is a triptan drug that is selective for the 5-hydroxytryptamine1 receptor subtype. It is typically used for the treatment of migraine headaches.

Accession Number
DBSALT001246
Structure
Synonyms
Naratriptan HCl
UNII
10X8X4P12Z
CAS Number
143388-64-1
Weight
Average: 371.92
Monoisotopic: 371.143426
Chemical Formula
C17H26ClN3O2S
InChI Key
AWEZYKMQFAUBTD-UHFFFAOYSA-N
InChI
InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H
IUPAC Name
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide hydrochloride
SMILES
Cl.CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
ChemSpider
54857
ChEBI
7479
ChEMBL
CHEMBL1200601
Wikipedia
Naratriptan
Predicted Properties
PropertyValueSource
Water Solubility0.114 mg/mLALOGPS
logP2.16ALOGPS
logP1.44Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)11.55Chemaxon
pKa (Strongest Basic)9.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area65.2 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity94.26 m3·mol-1Chemaxon
Polarizability37.65 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon