Tirofiban hydrochloride monohydrate
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride
| Molecular Formula | C22H39ClN2O6S |
|---|---|
| Molecular Weight | 495.1 g/mol |
| Topological Polar Surface Area | 114.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 494.22174 |
| Heavy Atoms | 32 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 150915-40-5 |
|---|---|
| SMILES | CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl |
| InChIKey | HWAAPJPFZPHHBC-FGJQBABTSA-N |
📖 Product Overview
Tirofiban hydrochloride monohydrate (CAS: 150915-40-5) is a chemical compound with molecular formula C22H39ClN2O6S and molecular weight 495.1 g/mol. Its IUPAC systematic name is (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride.
HWAAPJPFZPHHBC-FGJQBABTSA-N.
SMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl.
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