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Khellin

Khellin structure

CAS No:
82-02-0
Formula:
C14H12O5
Chemical Name:
Khellin
Synonyms:
5H-Furo[3,2-g][1]benzopyran-5-one,4,9-dimethoxy-7-methyl-;4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one;Amicardine;Ammipuran;Ammivin;Ammivisnagen;Benecardin;Cardio-khellin;Corafurone;5,8-Dimethoxy-2-methyl-6,7-furanochromone;5,8-Dimethoxy-2-methyl-4′,5′-furano-6,7-chromone;5,8-Dimethoxy-2-methyl-4′,5′-furo-6,7-chromone;4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene;4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran;4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene;Eskel;Kelamin;Kelicor;Kelicorin;Keloid;Khelfren;Khelisem;Khellin;Khelloyd;Lynamine;Methafrone;Norkel;Simeskellina;Vasokellina;Visammin;Viscardan;Visnagalin;Visnagen;Benekardin;Amikellin;Medekellin;Kellosal;Ammispasmin;Kalangin;Gynokhellin;Khelline I;Coronin;Hkelfren;Gynokhellan;Amicardien;NSC 25509;NSC 37744;NSC 8519
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

Description

Khellin is a furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. It has a role as a vasodilator agent, a bronchodilator agent, an anti-asthmatic agent and a cardiovascular drug. It is an organic heterotricyclic compound, an oxacycle and a furanochromone. It derives from a 5H-furo[3,2-g]chromen-5-one.|A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024)

Khellin Basic Attributes

Molecular Weight：

260.24

Exact Mass：

260.24

EC Number：

201-392-8

UNII：

5G117T0TJZ

NSC Number：

755826|37744|25509|8519

DSSTox ID：

DTXSID9045267

HScode：

2932999099

Characteristics

PSA：

57.9

XLogP3：

2.3

Appearance：

light yellow crystalline

Density：

1.44 g/cm³

Melting Point：

154.5 °C (decomp)

Boiling Point：

180-200 °C @ Press: 0.05 Torr

Flash Point：

218.8±28.7 °C

Refractive Index：

1.595

Water Solubility：

247.2g/L(25 ºC)

Storage Conditions：

−20°C

Toxicity：

Oral-rat LD50: 68.8 mg kg; Oral-Mouse LD50: 50.8 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-38-36/37/38-23/24/25

safety instructions：

36/37/39-45-26

RTECS Number：

LV1050000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301-H315

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P321, P330, P332+P313, P362, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)|Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

Khellin

Khellin Use and Manufacturing

Uses

vasodilator (coronary), photosensitizer

Use Classification：

Polyketides [PK] -> Aromatic polyketides [PK13] -> Benzopyranoids [PK1311]

Computed Properties

Molecular Weight:260.24
XLogP3:2.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:260.06847348
Monoisotopic Mass:260.06847348
Topological Polar Surface Area:57.9
Heavy Atom Count:19
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Khellin

CAS No.: 82-02-0

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