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Heterocyclic building blocks

Brecanavir

Also known as brecanavirum, Brecanavir (USAN), [3H]GW0385

CAS 313682-08-5Formula C33H41N3O10S2Molar mass 703.84 g/mol
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Brecanavir chemical structure, C33H41N3O10S2, CAS 313682-08-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
313682-08-5
Formula
C33H41N3O10S2
Molar mass
703.84 g/mol
HS code
293590
Category
Heterocyclic building blocks

What is Brecanavir?

Plain description, key identifiers and synonyms

Brecanavir is a tyrosyl-based arylsulfonamide inhibitor of human immunodeficiency virus (HIV) protease.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
CAS number
313682-08-5 CAS number cross-checked
Molecular formula
C33H41N3O10S2
UNII
E367I8C7FI
InChIKey
JORVRJNILJXMMG-OLNQLETPSA-N
InChI
InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1
Canonical SMILES
Cc1nc(COc2ccc(CC(NC(=O)OC3COC4OCCC34)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1
Isomeric SMILES
CC1=NC(=CS1)COC2=CC=C(C=C2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6

Synonyms

  • brecanavirum
  • Brecanavir (USAN)
  • [3H]GW0385
  • Proteinase inhibitor 640385
  • 2fdd
  • 2fde
  • GSK 640385
  • GW 0385
  • Brecanavir, >98% (HPLC)
  • VX 385

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
703.84 g/molcalc.
Exact mass
703.2233 Dacalc.
LogP (octanol/water)
3.87calc.
Topological polar surface area
155 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
14calc.
Heavy atoms
48calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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=C(NC(CCNS(=O)(=O)c1ccc2c(c1)OCO2)Cc1ccc(OCc2cscn2)cc1)OC1COC2OCCC12

O=C(NC(CCNS(=O)(=O)c1ccc2c(c1)OCO2)Cc1ccc(OCc2cscn2)cc1)OC1COC2OCCC12

6 rings, 42 atoms.

No other chemical in our database has 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.

Brecanavir suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Brecanavir 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.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • anti-HIV agent
  • antimicrobial agent
  • antiviral agent

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 Brecanavir is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Brecanavir?

Brecanavir is a tyrosyl-based arylsulfonamide inhibitor of human immunodeficiency virus (HIV) protease.

What is the CAS number of Brecanavir?

The CAS registry number of Brecanavir is 313682-08-5.

What is the molecular formula and weight of Brecanavir?

The molecular formula of Brecanavir is C33H41N3O10S2 and its molar mass is 703.84 g/mol.

What is Brecanavir used for?

Known uses and roles of Brecanavir include building blocks in research and laboratory, anti-hiv agent, antimicrobial agent and antiviral agent.

Is Brecanavir hazardous?

No GHS hazard classification for Brecanavir 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 Brecanavir?

Brecanavir is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brecanavir?

CompoundList lists 1 supplier of Brecanavir in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Brecanavir?

Suppliers quote Brecanavir 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 Brecanavir

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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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