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Heterocyclic building blocks

Isoxepac

Also known as Artil, HP 549, Isoxepacum

CAS 55453-87-7Formula C16H12O4Molar mass 268.27 g/molEC 611-268-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard 23 suppliers listed
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Isoxepac chemical structure, C16H12O4, CAS 55453-87-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55453-87-7
Formula
C16H12O4
Molar mass
268.27 g/mol
EC number
611-268-9
HS code
293299
Category
Heterocyclic building blocks

What is Isoxepac?

Plain description, key identifiers and synonyms

Isoxepac is a dibenzooxazepine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
CAS number
55453-87-7 CAS number cross-checked
EC number
611-268-9
Molecular formula
C16H12O4
UNII
2KH283Q0Z5
MDL number
MFCD00242952
InChIKey
QFGMXJOBTNZHEL-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
SMILES (canonical and isomeric)
C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O

Synonyms

  • Artil
  • HP 549
  • Isoxepacum
  • 6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid
  • Isoxepaco
  • Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo-
  • 6,11-Dihydro-11-oxodibenz(b,e)oxepin-2-acetic acid
  • DIBENZ(b,e)OXEPIN-2-ACETIC ACID, 6,11-DIHYDRO-11-OXO-
  • 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
  • 6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
  • 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
  • (11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
  • 6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic acid
  • 11-Oxo-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
  • 2-(11-Oxo-6,11-dihydrodibenzo-[b,e]oxepin-2-yl)acetic acid
  • (11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic Acid (Isoxepac)
  • Artil (TN)
  • nd4-b2
  • Isoxepac (USAN/INN)
  • 6,e]oxepin-2-acetic acid
  • 5-18-08-00457 (Beilstein Handbook Reference)
  • Dibenz[b, 6,11-dihydro-11-oxo-
  • Olopatadine Related Compound C, Isoxepac
  • Isoxepac, Olopatadine Related Compound C
  • 6H-11-Oxodibenzo[b,e]oxepin-2-acetic acid
Show all 30 synonyms
  • 6,11-hydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
  • 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl acetic acid
  • 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)aceticacid
  • (11-Oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid
  • 2-{2-oxo-9-oxatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-5-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
268.27 g/molcalc.
Exact mass
268.0736 Dacalc.
LogP (octanol/water)
2.44calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1c2ccccc2COc2ccccc21

O=C1c2ccccc2COc2ccccc21

3 rings, 16 atoms, the Dibenz[b,e]oxepin-11(6H)-one ring system.

36 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H361Suspected of damaging fertility or the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (22)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Isoxepac suppliers

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All 23 suppliers
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Where suppliers are based

23 suppliers in 7 countries

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Isoxepac 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

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 Isoxepac is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isoxepac?

Isoxepac is a dibenzooxazepine.

What is the CAS number of Isoxepac?

The CAS registry number of Isoxepac is 55453-87-7.

What is the molecular formula and weight of Isoxepac?

The molecular formula of Isoxepac is C16H12O4 and its molar mass is 268.27 g/mol.

What is Isoxepac used for?

Known uses and roles of Isoxepac include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isoxepac hazardous?

Isoxepac carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isoxepac?

Isoxepac is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoxepac?

CompoundList lists 23 suppliers of Isoxepac in China, India, Canada, Czech Republic and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isoxepac in India?

4 suppliers in India list Isoxepac on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isoxepac?

Suppliers quote Isoxepac 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

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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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