CompoundList
Sign in
Screening compounds

Fradafiban

Also known as fradafibanum, (3S,5S)-5-(((4'-Amidino-4-biphenylyl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid, 5-((((4'-aminoiminomethyl)-(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid

CAS 148396-36-5Formula C20H21N3O4Molar mass 367.41 g/mol
Get quotes Safety data
Fradafiban chemical structure, C20H21N3O4, CAS 148396-36-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
148396-36-5
Formula
C20H21N3O4
Molar mass
367.41 g/mol
HS code
293379
Category
Screening compounds

What is Fradafiban?

Plain description, key identifiers and synonyms

Fradafiban is a pyrrolidinone that is pyrrolidin-2-one which is substituted at positions 3 and 5 by carboxymethyl and hydroxymethyl groups, respectively, and in which the hydrogen of the resulting alcoholic hydroxy group is replaced by a 4'-carbamimidoylbiphenyl-4-yl group (the S,S-diastereoisomer). A figrinogen receptor antagonist. It has a role as a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a monocarboxylic acid, a carboxamidine and a member of pyrrolidin-2-ones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3S,5S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid
CAS number
148396-36-5 CAS number cross-checked
Molecular formula
C20H21N3O4
UNII
DQ0H2B8YKN
InChIKey
IKZACQMAVUIGPY-HOTGVXAUSA-N
InChI
InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1
Canonical SMILES
N=C(N)c1ccc(-c2ccc(OCC3CC(CC(=O)O)C(=O)N3)cc2)cc1
Isomeric SMILES
C1[C@H](C(=O)N[C@@H]1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Synonyms

  • fradafibanum
  • (3S,5S)-5-(((4'-Amidino-4-biphenylyl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid
  • 5-((((4'-aminoiminomethyl)-(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid
  • [(3S,5S)-5-{[(4'-carbamimidoylbiphenyl-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
  • ((3S,5S)-5-(((4'-carbamimidoylbiphenyl-4-yl)oxy)methyl)-2-oxopyrrolidin-3-yl)acetic acid
  • 2-[(3S,5S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid
  • (3S-trans)-5-[[[4'-(aminoiminomethyl)[1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid
  • [(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
  • MWX
  • 2-((3S,5S)-5-(((4'-carbamimidoyl-[1,1'-biphenyl]-4-yl)oxy)methyl)-2-oxopyrrolidin-3-yl)acetic acid

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
367.41 g/molcalc.
Exact mass
367.1532 Dacalc.
LogP (octanol/water)
2calc.
Topological polar surface area
125.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 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=C1CCC(COc2ccc(-c3ccccc3)cc2)N1

O=C1CCC(COc2ccc(-c3ccccc3)cc2)N1

3 rings, 20 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Fradafiban suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Fradafiban can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Fradafiban price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • antagonist
  • hematologic agent
  • pharmaceutical
  • platelet aggregation inhibitor
  • platelet glycoprotein-IIb/IIIa receptor antagonist

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Fradafiban?

Fradafiban is a pyrrolidinone that is pyrrolidin-2-one which is substituted at positions 3 and 5 by carboxymethyl and hydroxymethyl groups, respectively, and in which the hydrogen of the resulting alcoholic hydroxy group is replaced by a 4'-carbamimidoylbiphenyl-4-yl group (the S,S-diastereoisomer).

What is the CAS number of Fradafiban?

The CAS registry number of Fradafiban is 148396-36-5.

What is the molecular formula and weight of Fradafiban?

The molecular formula of Fradafiban is C20H21N3O4 and its molar mass is 367.41 g/mol.

What is Fradafiban used for?

Known uses and roles of Fradafiban include building blocks in research and laboratory, screening compounds in research and laboratory, antagonist, hematologic agent, pharmaceutical and 2 more.

Is Fradafiban hazardous?

No GHS hazard classification for Fradafiban is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Fradafiban?

Fradafiban is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fradafiban?

Post a free request on CompoundList and suppliers of Fradafiban will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Fradafiban?

Suppliers quote Fradafiban 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 Fradafiban

Get quotes for Fradafiban

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Fradafiban
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Fradafiban with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/fradafiban-148396-36-5" title="Fradafiban structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293379

Price on request
Free quotes, contact stays private
Get quotes