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188627-80-7

Basic Information
CAS No.: 188627-80-7
Name: Eptifibatide
Article Data: 2
Molecular Structure:
Molecular Structure of 188627-80-7 (Eptifibatide)
Formula: C35H49N11O9S2
Molecular Weight: 831.974
Synonyms: IntegratorsIntegrelin;L-Cysteinamide,N6-(aminoiminomethyl)-N2- (3-mercapto-1-oxopropyl)-L-lysylglycyl-L-Raspartyl- L-tryptophyl-L-prolyl-,cyclic (1f6)-disulfide;L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-a-aspartyl-L-tryptophyl-L-prolyl-, cyclic (1?)-disulfide;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]hexacos-6-yl]acetic acid;Integrilin;Integrelin;L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide;
EINECS: 641-366-7
Density: 1.605 g/cm3
Appearance: White powder
PSA: 374.49000
LogP: 1.62840
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Chemistry

IUPAC Name: 2-[20-Carbamoyl-12-(4-guanidinobutyl)-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
Synonyms of Eptifibatide (CAS NO.188627-80-7) : Integrelin ; Integrilin
CAS NO:188627-80-7
Molecular Formula:C35H49N11O9S2
Molecular Weight :831.9619
Molecular Structure :
H bond acceptors: 20
H bond donors: 13
Freely Rotating Bonds: 10
Polar Surface Area: 374.49 Å2
Index of Refraction: 1.735
Molar Refractivity: 208.031 cm3
Molar Volume: 518.486 cm3
Surface Tension: 75.927 dyne/cm
Density: 1.605 g/cm3 
SMILES: NC(=O)[C@@H]3CSSCCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc1ccccc12)C(=O)N4CCC[C@H]4C(=O)N3
InChI: InChI=1/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/h1-2,6-7,16,22-26,40H,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)/t22-,23-,24-,25-,26-/m0/s1
InChIKey: CZKPOZZJODAYPZ-LROMGURABV
Std. 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/h1-2,6-7,16,22-26,40H,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)/t22-,23-,24-,25-,26-/m0/s1
Std. InChIKey: CZKPOZZJODAYPZ-LROMGURASA-N

Uses

 Eptifibatide (CAS NO.188627-80-7) is an antiplatelet drug that selectively blocks the platelet glycoprotein IIb/IIIa receptor.

Production

 Eptifibatide (CAS NO.188627-80-7) is a cyclic heptapeptide derived from a protein found in the venom of the southeastern pygmy rattlesnake .

Specification

 Eptifibatide (CAS NO.188627-80-7) belongs to the class of the so called arginin-glycin-aspartat-mimetics and reversibly binds to platelets. Eptifibatide has a short half-life.

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