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| CAS No.: | 148031-34-9 |
|---|---|
| Name: | Eptifibatide |
| Molecular Structure: | |
|
|
|
| Formula: | C35H49N11O9S2 |
| Molecular Weight: | 831.96 |
| Synonyms: | Integrelin;UNII-NA8320J834;N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide; |
| EINECS: | 1533716-785-6 |
| Density: | 1.605 g/cm3 |
| Melting Point: | 92-98°C |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | R36/37/38; R22 |
| PSA: | 374.49000 |
| LogP: | 1.62840 |
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Chemistry
Molecule structure of Integrelin (CAS NO.148031-34-9):
IUPAC Name: 2-[20-Carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
Molecular Weight: 831.96186 g/mol
Molecular Formula: C35H49N11O9S2
Density: 1.6 g/cm3
Index of Refraction: 1.735
Molar Refractivity: 208.03 cm3
Molar Volume: 518.4 cm3
Surface Tension: 75.9 dyne/cm
XLogP3-AA: -2.4
H-Bond Donor: 10
H-Bond Acceptor: 12
Rotatable Bond Count: 10
Tautomer Count: 1000
Exact Mass: 831.315614
MonoIsotopic Mass: 831.315614
Topological Polar Surface Area: 326
Heavy Atom Count: 57
Canonical SMILES: C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)C3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
InChI: InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)
InChIKey: CZKPOZZJODAYPZ-UHFFFAOYSA-N
Product Categories: Amino Acid Derivatives; Peptide
Uses
Integrelin (CAS NO.148031-34-9) is used to reduce the risk of acute cardiac ischemic events (death and/or myocardial infarction) in patients with unstable angina or non-ST-segment-elevation (e.g., non-Q-wave) myocardial infarction (i.e., non-ST-segment elevation acute coronary syndromes) both in patients who are to receive non surgery (conservative) medical treatment and those undergoing percutaneous coronary intervention (PCI).
Specification
Integrelin (CAS NO.148031-34-9) is also named as Eptifibatide ; Integrilin ; N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide ; UNII-NA8320J834 ; L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide .