Basic information
- CAS
150915-40-5- Standard SMILES
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O- InChIKey
HWAAPJPFZPHHBC-FGJQBABTSA-N- Molecular formula
- C22H39ClN2O6S
- Average molar mass
- 495.1 g/mol
- Monoisotopic mass
- 494.2217358
Overview
Tirofiban hydrochloride is a hydrochloride. It contains a tirofiban.
Names & identifiers
- Preferred name
- Tirofiban hydrochloride monohydrate
- IUPAC
- (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride
- English name
- Tirofiban hydrochloride monohydrate
- Molecular formula
- C22H39ClN2O6S
- Molecular weight
- 495.07
Names & synonyms
Tirofiban hydrochloride monohydrate150915-40-5TIROFIBAN HYDROCHLORIDETirofiban HClTirofiban hydrochloride hydrateAggrastatTirofiban (hydrochloride monohydrate)Tirofiban HCl hydrateC22H39ClN2O6STirofiban HCl mUNII-6H925F8O5JTirofiban hydrochloride [USAN]
Show more names
MK-0383682-504-6MK-383 HydrochlorideirofibanhydrochlorideTirofiban HydrochilorideTIROFIBAN, HYDROCHLORIDE HYDRATE
DTXSID5048635Tirofiban HCl monohydrateMFCD07368623MK 383TIROFIBANHYDROCHLORIDEMONOHYDRATETirofiban hydrochloride (USAN)6H925F8O5JL-700,462
Database identifiers
- CAS
150915-40-5- PubChem CID
- 60946
- DTXSID
DTXSID5048635- ChEMBL
CHEMBL3189072
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 135 · 135-137°C
- storage temp.
- -20 °C · -20°C
- solubility
- 12 mg/mL · DMSO: >12mg/mL at warmed to 60°C
- form
- powder
- color
- white to beige
- optical activity
- -10 to · [α]/D -10 to -18° (c=1, MeOH)
- Merck
- 14 · 14,9464
- InChIKey
- HWAAPJPFZPHHBC-MGIYCFTINA-N
- SMILES
- S(CCCC)(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC1CCNCC1)C(O)=O.Cl.O |&1:8,r|
- FDA UNII
- 6 H925F8O5J · 6H925F8O5J
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Tirofiban hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Safety data
- wgk
- 3
- hs_code
- 2935.90.6000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37-45
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
TIROFIBAN HYDROCHLORIDE
Decreased Platelet Aggregation [PE]; Platelet Aggregation Inhibitor [EPC]
Applications
UsesAcute coronary syndrome (angina pectoris, myocardial infarction, surgery hydrant). Tirofiban hydrochloride monohydrate is a potent non-peptide, glycoprotein IIb/IIIa inhibitor. It can prevent platelet aggregation and thrombosis.
UsesA specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist. An antithrombotic used in the treatment of unstable angina
UsesTirofiban is a specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist. Tirofiban is an antithrombotic used in the treatment of unstable angina.
UsesTirofiban hydrochloride monohydrate has been used as an αIIbβ3 integrin (glycoprotein IIb/IIIa) inhibitor for mouse induced pluripotent stem cell (iPSC) culture.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…