Tirofiban

Molecular Mass: 440.6 g/mol

Formula: C₂₂H₃₆N₂O₅S

Smiles: CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O

Synonymes:

Tirofiban, tirofiban, 144494-65-5, Agrastat, tirofibanum, N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine, (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid, GGX234SI5H, MK-383, CHEBI:9605, L-700462, DTXSID20162730, (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid, (2S)-2-(butane-1-sulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoic acid, (2S)-2-(butylsulfonylamino)-3-(4-(4-piperidin-4-ylbutoxy)phenyl)propanoic acid, RefChem:57052, DTXCID7085221, B01AC17, L700,462, L 700,462, 635-682-4, Aggrastat, MFCD05237246, (S)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoic acid, Tirofiban (INN), N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE, N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine, L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-, TIROFIBAN [INN], Tirofiban [INN:BAN], C22H36N2O5S, L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, Agrastat (TN), HSDB 7323, UNII-GGX234SI5H, Tirofiban(L700462, MK383), (2S)-2-(BUTYLSULFONYLAMINO)-3-[4-[4-(4-PIPERIDYL)BUTOXY]PHENYL]PROPANOIC ACID, Tirofiban (Standard), TIROFIBAN [MI], L700462, MK383, TIROFIBAN [HSDB], TIROFIBAN [VANDF], CHEMBL916, Epitope ID:933578, SCHEMBL3685, TIROFIBAN [WHO-DD], BIDD:GT0363, GTPL6586, orb1301003, COKMIXFXJJXBQG-NRFANRHFSA-N, GLXC-07548, HY-17369BR, Tirofiban, >=98.5% (HPLC), BDBM50004058, EBC-27106, HY-17369B, s3085, tirofiban hydrochloride (monohydrate), AKOS015894972, DB00775, Tirofiban Hydrochloride Intermediate II, NCGC00263584-02, NCGC00263584-05, NCGC00263584-06, AS-35267, FT142225, SY031747, NS00008567, C07965, D08607, EN300-20599904, F858667, Q415366, BRD-K37872686-003-01-9, BRD-K37872686-311-01-6, N-(Butane-1-sulfonyl)-O-[4-(piperidin-4-yl)butyl]-L-tyrosine, N-(n-butanesulfonyl)-O-(4-(4-piperidinyl)-butyl)-(s)-tyrosine, (S)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoicacid, Tirofiban, N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine, Aggrestat, N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine, Tirofiban

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Ethanol	278.15	-	0.9927	[321]
Ethanol	283.15	-	1.192	[321]
Ethanol	288.15	-	1.39	[321]
Ethanol	293.15	-	1.628	[321]
Ethanol	298.15	-	1.877	[321]
Ethanol	303.15	-	2.154	[321]
Ethanol	308.15	-	2.441	[321]
Ethanol	313.15	-	2.753	[321]
Ethanol	318.15	-	3.14	[321]
Ethanol	323.15	-	3.579	[321]
Ethylene Glycol	278.15	-	0.375	[321]
Ethylene Glycol	283.15	-	0.4537	[321]
Ethylene Glycol	288.15	-	0.5367	[321]
Ethylene Glycol	293.15	-	0.6339	[321]
Ethylene Glycol	298.15	-	0.7453	[321]
Ethylene Glycol	303.15	-	0.8537	[321]
Ethylene Glycol	308.15	-	0.9762	[321]
Ethylene Glycol	313.15	-	1.107	[321]
Ethylene Glycol	318.15	-	1.243	[321]
Ethylene Glycol	323.15	-	1.407	[321]
Isopropanol	278.15	-	0.4377	[321]
Isopropanol	283.15	-	0.543	[321]
Isopropanol	288.15	-	0.6267	[321]
Isopropanol	293.15	-	0.75	[321]
Isopropanol	298.15	-	0.8786	[321]
Isopropanol	303.15	-	1.001	[321]
Isopropanol	308.15	-	1.135	[321]
Isopropanol	313.15	-	1.294	[321]
Isopropanol	318.15	-	1.485	[321]
Isopropanol	323.15	-	1.675	[321]
Methanol	278.15	-	3.393	[321]
Methanol	283.15	-	4.124	[321]
Methanol	288.15	-	4.847	[321]
Methanol	293.15	-	5.663	[321]
Methanol	298.15	-	6.678	[321]
Methanol	303.15	-	7.635	[321]
Methanol	308.15	-	8.939	[321]
Methanol	313.15	-	10.17	[321]
Methanol	318.15	-	11.6	[321]
Methanol	323.15	-	13.17	[321]
Water	278.15	-	0.0228	[321]
Water	283.15	-	0.0268	[321]
Water	288.15	-	0.0322	[321]
Water	293.15	-	0.0377	[321]
Water	298.15	-	0.0446	[321]
Water	303.15	-	0.0506	[321]
Water	308.15	-	0.0587	[321]
Water	313.15	-	0.0668	[321]
Water	318.15	-	0.0761	[321]
Water	323.15	-	0.0867	[321]

Molecule 3D descriptors

Descriptor	Value
PMI1	2645.5844
PMI2	8826.5242
PMI3	10252.5001
NPR1	0.2580
NPR2	0.8609
RadiusOfGyration	4.9652
InertialShapeFactor	0.0003
Eccentricity	0.9661
Asphericity	0.4157
SpherocityIndex	0.1577
PBF	1.0172