Eptifibatide Acetate

Analyte Name

Eptifibatide Acetate

CAS Number

881997-86-0

Molecular Formula

C35 H49 N11 O9 S2 . C2 H4 O2

Molecular Weight

892.01

Accurate Mass

891.3367

SMILES

CC(=O)O.NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N

InChI

1H3,(H,3,4)/t22-,23-,24-,25-,26-, InChI=1S/C35H49N11O9S2.C2H4O2/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, /m0./s1, 1-2(3)4/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)

IUPAC

acetic acid;2-[(3S,6S,12S,20R,23S)-12-(4-carbamimidamidobutyl)-20-carbamoyl-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

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Tariff Code

29349990

Product Type

API

Product Format

Neat

API Family

Eptifibatide