TIROFIBAN HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 6H925F8O5J
Parent Compound: TIROFIBAN

Structure
InChI Key KPKFFYOMPGOQRP-BOXHHOBZSA-N
Smile CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl
InChI
InChI=1S/C22H36N2O5S.ClH/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H/t21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H39ClN2O6S
Molecular Weight 495.08
AlogP 2.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 104.73
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Integrin alpha-IIb/beta-3 inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
34.72
Injury, poisoning and procedural complications
13.47
Cardiac disorders
12.95
General disorders and administration site conditions
12.44
Nervous system disorders
6.48
Gastrointestinal disorders
3.89
Respiratory, thoracic and mediastinal disorders
3.63
Blood and lymphatic system disorders
3.37

Cross References

Resources Reference
ChEBI 9606
ChEMBL CHEMBL3189072
EPA CompTox DTXSID5048635
FDA SRS 6H925F8O5J
Guide to Pharmacology 6586
KEGG C07965
PDB AGG
PubChem 60946
SureChEMBL SCHEMBL41325
ZINC ZINC03806104
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