Almotriptan

Description

Almotriptan · CAS 181183-52-8 · C17H25N3O2S. UNII 1O4XL5SN61. Solubility: 1.21e-01 g/L; LogP: 1.6.

Identification

CAS Registry Number	181183-52-8
PubChem CID	123606
Molecular formula	C17H25N3O2S
IUPAC name	N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
UNII (FDA)	1O4XL5SN61

Computed Descriptors

Molecular Weight	335.5
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	335.16674822
Monoisotopic Mass	335.16674822
Topological Polar Surface Area	64.8
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Solubility	1.21e-01 g/L
LogP	1.6

Physical description & handling notes

• Solid
• 175.8 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

GHS Hazard Classification

Reported hazard statements	H373 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >10
• Consumption (g per capita; approx.) in Germany (2009): 0.000122
• Almotriptan is indicated for the acute treatment of migraine with or without aura in adults. [Wikipedia]
• For the treatment of acute migraine headache in adults
• Almotriptan is the first FDA-approved drug to treat migraine headaches in adults with or without an aura. The drug is also beneficial in adolescents with a history of a migraine that, when left untreated, lasts 4 hours or longer. Certain triptan medications, such as almotriptan and rizatriptan, are effective and safe for managing acute migraines and benign headaches in the pediatric population (less than 18 years of age).
• Breast Feeding; Lactation; Milk, Human; Serotonin Receptor Agonists; Serotonin 5-HT1 Receptor Agonists; Triptans; Vasoconstrictor Agents

Synonyms

Almotriptan; 154323-57-6; Almogran; LAS-31416; DTXSID5044289; dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine; NSC-760092; 1O4XL5SN61; 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine; LAS31416; Pyrrolidine, 1-(((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)sulfonyl)-; DTXCID3024289; CHEBI:520985; Pyrrolidine, 1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-; almotriptanum; 1-[[[3-[2-(dimethylamino)ethyl]indol-5-yl]methyl]sulfonyl]pyrrolidine

Frequently Asked Questions

What are the CAS number and molecular formula of Almotriptan?

CAS 181183-52-8; molecular formula C17H25N3O2S; molecular weight — g/mol.

What other names is Almotriptan known by?

Almotriptan, 154323-57-6, Almogran, LAS-31416, DTXSID5044289, dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine.

Is Almotriptan classified as hazardous?

Hazard statements reported: H373.

What are the key physical properties of Almotriptan?

Solubility: 1.21e-01 g/L; LogP: 1.6.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.