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Isoxepac

Isoxepac structure

CAS No:
55453-87-7
Formula:
C16H12O4
Chemical Name:
Isoxepac
Synonyms:
Dibenz[b,e]oxepin-2-acetic acid,6,11-dihydro-11-oxo-;6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid;Isoxepac;HP 549;11-Oxo-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid;Artil;P 720549;NSC 300907;11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetic acid;2-(11-Oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
Categories:
Analytical Chemistry > Standard

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Description

Beige Solid

Isoxepac is a dibenzooxazepine.

Isoxepac Basic Attributes

Molecular Weight：

268.26

Exact Mass：

268.26

EC Number：

1806241-263-5

UNII：

2KH283Q0Z5

NSC Number：

300907

DSSTox ID：

DTXSID8057772

HScode：

2932999099

Characteristics

PSA：

63.6

XLogP3：

2.4

Density：

1.39 g/cm³

Melting Point：

131-132.5 °C

Boiling Point：

528.2°C at 760 mmHg

Flash Point：

203.8±23.6 °C

Refractive Index：

1.636

Storage Conditions：

Refrigerator

Toxicity：

LD50 orally in rats: 199 mg/kg (Ueno)

Safety Information

Hazard category：

6.1

Transport codes：

UN 2811 6.1 / PGIII

hazard class code：

25-62

safety instructions：

36/37-45

RTECS Number：

HQ4110000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

HP 549

Isoxepac Use and Manufacturing

Non-steroidal anti-inflammatory with analgesic and antipyretic activity

Computed Properties

Molecular Weight:268.26
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:268.07355886
Monoisotopic Mass:268.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:20
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid(Isoxepac)55453-87-7

CAS No.: 55453-87-7

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Content: 99%

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