ALMOTRIPTAN MALATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Salt
UNII: PJP312605E
Parent Compound: ALMOTRIPTAN

Structure
InChI Key QHATUKWEVNMHRY-UHFFFAOYSA-N
Smile CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H31N3O7S
Molecular Weight 469.56
AlogP 2.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 56.41
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Serotonin 1b (5-HT1b) receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 4 D008881 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
15.62
General disorders and administration site conditions
13.88
Injury, poisoning and procedural complications
10.2
Product issues
9.76
Vascular disorders
8.46
Psychiatric disorders
8.24
Gastrointestinal disorders
5.21
Cardiac disorders
3.9
Eye disorders
3.04
Musculoskeletal and connective tissue disorders
2.6
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.6
Pregnancy, puerperium and perinatal conditions
2.39
Respiratory, thoracic and mediastinal disorders
2.17

Cross References

Resources Reference
ChEBI 53781
ChEMBL CHEMBL1200521
EPA CompTox DTXSID1044225
FDA SRS PJP312605E
PubChem 123607
SureChEMBL SCHEMBL221131
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