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Almotriptan malate

Almotriptan malate structure

CAS No:
181183-52-8
Formula:
C17H25N3O2S.C4H6O5
Chemical Name:
Almotriptan malate
Synonyms:
Butanedioic acid,2-hydroxy-,compd. with N,N-dimethyl-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine (1:1);Butanedioic acid,hydroxy-,compd. with 1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]pyrrolidine (1:1);Pyrrolidine,1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-,hydroxybutanedioate (1:1);LAS 31416 D,L-malate acid;Almotriptan malate;PNU 180638E;Axert;PNU 180638;Almotrip forte
Categories:
Biochemical Engineering > Inhibitors

Description

Pale Yellow SolidChEBI: The malate salt of almotriptan.Almotriptan is a kind of triptan drug which can be used for the treatment of migraine headaches. It is belong to a drug category of selective serotonin receptor agonists. It has a high and specificity affinity for serotonin 5-HT receptors, further leading to vascoconstriction of the brain blood vessel and affecting the redistribution of blood flow. These effects stop pain signals from being sent to the brain, and further suppres

Almotriptan malate is the malate salt of almotriptan. It has a role as a vasoconstrictor agent, a serotonergic agonist and a non-steroidal anti-inflammatory drug. It contains an almotriptan.

Almotriptan malate Basic Attributes

Molecular Weight：

469.56

Exact Mass：

469.188263

EC Number：

1806241-263-5

DSSTox ID：

DTXSID1044225

HScode：

2935904000

Characteristics

PSA：

160

XLogP3：

2.12290

Appearance：

Pale yellow solid

Density：

1.27g/cm3

Melting Point：

170-172°C

Boiling Point：

538.7ºC at 760mmHg

Flash Point：

279.6ºC

Storage Conditions：

-20°C Freezer

Vapor Pressure：

1.13E-11mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, P501

Hazard Statements：

H312

GHS Classification：

|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)

MeSH Entry Terms：

Almogran

Almotriptan malate Use and Manufacturing

Methods of Manufacturing

Ethyl acetate (15 ml) was added to a solution of almotriptan succinate (2.3 grams in 23 ml of water) and stirred for 15 minutes. The reaction mixture was basified with ammonia and stirred for 30 minutes at 25-3OThe almotriptan base (10 g, HPLC purity 99.7 percent) is dissolved in MeOH (15 ml) at the The almotriptan base (780 g) is dissolved in 1.2 L of MeOH at 40 °C and added dropwise to a solution of 312 g of D, L-malic acid in 2.34 L of MeOH, heated up to 40 °C. Almotriptan base (5.Og) was dissolved in 50ml ethanol. To the clear pale yellow solution, malic acid (2.4g in 50ml ethanol) was added at 25-30

Uses

anti-migraine agent

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:469.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:469.18827151
Monoisotopic Mass:469.18827151
Topological Polar Surface Area:160
Heavy Atom Count:32
Complexity:612
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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