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Eptifibatide chemical structure, C35H49N11O9S2, CAS 188627-80-7
2D chemical structure

Key facts

What buyers check first

CAS number
188627-80-7
Formula
C35H49N11O9S2
Molar mass
831.98 g/mol
EC number
641-366-7
HS code
293499
Category
Cardiovascular and metabolic drugs

What is Eptifibatide?

Plain description, key identifiers and synonyms

Eptifibatide is a synthetic homodetic cyclic peptide comprising Nalpha-(3-sulfanylpropanoyl)homoarginyl, glycyl, aspartyl, tryptophyl, prolyl and cysteinamide residues connected in sequence and cyclised via a disulfide bond. Derived from a protein found in the venom of the southeastern pygmy rattlesnake, Sistrurus miliarus barbouri, eptifibatide is an anti-coagulant that inhibits platelet aggregation by selectively blocking the platelet glycoprotein IIb/IIIa receptor, so preventing the binding of fibrinogen, von Willebrand factor, and other adhesive ligands. It is used in the management of unstable angina and in patients undergoing coronary angioplasty and stenting procedures. It has a role as an anticoagulant and a platelet aggregation inhibitor. It is a homodetic cyclic peptide, an organic disulfide and a macrocycle.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3S,6S,12S,20R,23S)-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
CAS number
188627-80-7 CAS number cross-checkedOther or deprecated CAS: 1248559-53-6, 148031-34-9, 157630-07-4
EC number
641-366-7
Molecular formula
C35H49N11O9S2
UNII
NA8320J834
MDL number
MFCD05662245
InChIKey
CZKPOZZJODAYPZ-LROMGURASA-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)/t22-,23-,24-,25-,26-/m0/s1
Canonical SMILES
NC(=O)C1CSSCCC(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC2C(=O)N1
Isomeric SMILES
C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N

Synonyms

  • Integrelin
  • Integrilin
  • Eptifibatida
  • N(sup 6)-Amidino-N(sup 2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide
  • epifibatide
  • epifibratide
  • eptifibatidum
  • L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic(1-6)-disulfide
  • Intrifiban
  • Eptifibatide acetate salt
  • L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-, cyclic (1-->6)-disulfide
  • N(6)-amidino-N(2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide
  • S(1),S(6)-cyclo[N(6)-carbamimidoyl-N(2)-(3-sulfanylpropanoyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide]
  • Eptifibatide acetate?
  • Eptifibatide Accord (generic)
  • L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic (1-6)-disulfide
  • n6-(aminoiminomethyl)-n2-(3-mercapto-1-oxopropyl-l-lysylglycyl-l-a-aspartyl-l-tryptophyl-l-prolyl-l-cysteinamide
  • Eptifibatide,MPA-HAR-Gly-Asp-Trp-Pro-Cys-NH2,MPAHARGDWPC-NH2, >99%
  • Mpa-har-gly-asp-trp-pro-cys-nh2(disulfide bridge, mpa1-cys6)
  • N(sup 6)-amidino-n(sup 2)-(3-mercaptopropionyl)-l-lysylglycyl-l-alpha-aspartyl-l-tryptophyl-l-prolyl-l-cysteinamide, cyclic(1-6)-disulphide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
831.98 g/molcalc.
Exact mass
831.3156 Dacalc.
LogP (octanol/water)
-2.05calc.
Topological polar surface area
326.4 ร…ยฒcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
10calc.
Heavy atoms
57calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.51calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCSSCCNC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CN1

O=C1CCSSCCNC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CN1

4 rings, 42 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H370Causes damage to organs.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (8)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Eptifibatide suppliers

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Eptifibatide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Platelet Aggregation Inhibitors.

Pharmacological actions

  • Platelet Aggregation Inhibitors

Roles

  • anticoagulant
  • hematologic agent
  • pharmaceutical
  • platelet aggregation inhibitor

Pharmacology

Eptifibatide is a Platelet Aggregation Inhibitor. The physiologic effect of eptifibatide is by means of Decreased Platelet Aggregation.

How it is made

Preparation: R. M. Scarborough et al., United States of America patent 5686570 (1997 to COR therapeutics).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Eptifibatide is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Eptifibatide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Eptifibatide, based on the data on this page

What is Eptifibatide?

Eptifibatide is a synthetic homodetic cyclic peptide comprising Nalpha-(3-sulfanylpropanoyl)homoarginyl, glycyl, aspartyl, tryptophyl, prolyl and cysteinamide residues connected in sequence and cyclised via a disulfide bond.

What is the CAS number of Eptifibatide?

The CAS registry number of Eptifibatide is 188627-80-7. Other or deprecated CAS numbers: 1248559-53-6, 148031-34-9, 157630-07-4.

What is the molecular formula and weight of Eptifibatide?

The molecular formula of Eptifibatide is C35H49N11O9S2 and its molar mass is 831.98 g/mol.

What is Eptifibatide used for?

Platelet Aggregation Inhibitors.

Is Eptifibatide hazardous?

Eptifibatide carries the GHS signal word "Danger". Main hazards: causes damage to organs, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Eptifibatide?

Eptifibatide is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclicโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eptifibatide?

CompoundList lists 89 suppliers of Eptifibatide in China, United States, India, Germany and 10 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Eptifibatide in India?

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What is the price of Eptifibatide?

Suppliers quote Eptifibatide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Eptifibatide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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