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Eptifibatide

CAT: 0013-GTR19158885-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158885-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Eptifibatide an antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class is a cyclic heptapeptide constructed from 6 amino acids and a mercaptopropionyl residue.
CAS Number
148031-34-9
Product Name Alternative
Eptifibatide Acetate | Mpr-Har-Gly-Asp-Trp-Pro-Cys-NH2
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Water:10 mM
Smiles
NC (=N) NCCCC[C@@H]1NC (=O) CCSSC[C@H] (NC (=O) [C@@H]2CCCN2C (=O) [C@H] (Cc2c[nH]c3ccccc23) NC (=O) [C@H] (CC (O) =O) NC (=O) CNC1=O) C (N) =O
Molecular Formula
C35H49N11O9S2
Molecular Weight
831.96
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-((1H-indol-3-yl)methyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo(2,1-g)(1,2,5,8,11,14,17,20)dithiahexaazacyclotricosin-17-yl)acetic acid
CAS Number148031-34-9
PubChem CID123610
IUPAC Name2-[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 FormulaC35H49N11O9S2
Molecular Weight832.0
XLogP-2.4
Topological Polar Surface Area377
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count57
Formal Charge0
Complexity1520
SMILES
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=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/h1-2,6-7,16,22-26,40H,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)
InChIKey
CZKPOZZJODAYPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-((1H-indol-3-yl)methyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo(2,1-g)(1,2,5,8,11,14,17,20)dithiahexaazacyclotricosin-17-yl)acetic acid
CAS: 148031-34-9
CID: 123610
Formula: C35H49N11O9S2
MW: 832.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight832.0
XLogP3-2.4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass831.31561453
Monoisotopic Mass831.31561453
Topological Polar Surface Area377 Ų
Heavy Atom Count57
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
PT_40510-01Eptifibatide Human (Eptifibatide Human)
H-6654.0005Eptifibatide

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