CAS 55453-87-7|Isoxepac

Introduction：Basic information about CAS 55453-87-7|Isoxepac, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isoxepac BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Isoxepac
CAS Number	55453-87-7	Molecular Weight	268.264
Density	1.3±0.1 g/cm3	Boiling Point	528.2±50.0 °C at 760 mmHg
Molecular Formula	C₁₆H₁₂O₄	Melting Point	130-132ºC
MSDS	/	Flash Point	203.8±23.6 °C

Names

Name	2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
Synonym	More Synonyms

Isoxepac BiologicalActivity

Description	Isoxepac (HP 549) is a nonsteroidal anti-inflammatory agent (NSAID) with anti-inflammatory, analgesic and antipyretic activity. Isoxepac has been studied in rat, rabbit, dog, rhesus monkey, etc[1][2][3].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
References	[1]. L S Gerlis, et al. Isoxepac in rheumatoid arthritis: a double-blind comparison with aspirin. Rheumatol Rehabil. 1981 Feb 1;20(1):50-3. [2]. W J Honig, et al. Analgesic effect of isoxepac on postmeniscectomy pain: a controlled trial. J Clin Pharmacol. Feb-Mar 1982;22(2-3):82-8. [3]. H P Illing, et al. Species differences in the disposition and metabolism of 6,11-dihydro-11-oxodibenz[be]oxepin-2-acetic acid (isoxepac) in rat, rabbit, dog, rhesus monkey, and man. Drug Metab Dispos. Sep-Oct 1978;6(5):510-7.

Description

Isoxepac (HP 549) is a nonsteroidal anti-inflammatory agent (NSAID) with anti-inflammatory, analgesic and antipyretic activity. Isoxepac has been studied in rat, rabbit, dog, rhesus monkey, etc[1][2][3].

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology

References

[1]. L S Gerlis, et al. Isoxepac in rheumatoid arthritis: a double-blind comparison with aspirin. Rheumatol Rehabil. 1981 Feb 1;20(1):50-3.

[2]. W J Honig, et al. Analgesic effect of isoxepac on postmeniscectomy pain: a controlled trial. J Clin Pharmacol. Feb-Mar 1982;22(2-3):82-8.

[3]. H P Illing, et al. Species differences in the disposition and metabolism of 6,11-dihydro-11-oxodibenz[be]oxepin-2-acetic acid (isoxepac) in rat, rabbit, dog, rhesus monkey, and man. Drug Metab Dispos. Sep-Oct 1978;6(5):510-7.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	528.2±50.0 °C at 760 mmHg
Melting Point	130-132ºC
Molecular Formula	C₁₆H₁₂O₄
Molecular Weight	268.264
Flash Point	203.8±23.6 °C
Exact Mass	268.073547
PSA	63.60000
LogP	2.64
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.636
InChIKey	QFGMXJOBTNZHEL-UHFFFAOYSA-N
SMILES	O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
Storage condition	Refrigerator

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ4110000

CHEMICAL NAME :: Dibenz(b,e)oxepin-2-acetic acid, 6,11-dihydro-11-oxo-

CAS REGISTRY NUMBER :: 55453-87-7

BEILSTEIN REFERENCE NO. :: 1320243

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C16-H12-O4

MOLECULAR WEIGHT :: 268.28

WISWESSER LINE NOTATION :: T C676 BV IO JHJ E1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 143 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977

Safety Information

Hazard Codes	T
Risk Phrases	25-62
Safety Phrases	36/37-45
HS Code	2942000000

Customs

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid

Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo-

Isoxepac

MFCD00242952

(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid

Artil

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