Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Khellin [INN:DCF]
RN: 82-02-0
UNII: 5G117T0TJZ
InChIKey: HSMPDPBYAYSOBC-UHFFFAOYSA-N

Note

  • 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)

Molecular Formula

  • C14-H12-O5

Molecular Weight

  • 260.2438
 

Classification Codes

  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Respiratory System Agents
  • Vasodilator Agents
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Coronin
  • Khellin [INN:DCF]

MeSH Heading

  • Khellin

Synonyms

  • 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
  • 4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one
  • 5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone
  • 5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone
  • 5,8-Dimethoxy-2-methyl-6,7-furanochromone
  • 5-19-06-00320 (Beilstein Handbook Reference)
  • AI3-52114
  • Amicardine
  • Amikellin
  • Amiptan
  • Ammi-khellin
  • Ammipuran
  • Ammispasmin
  • Ammivin
  • Ammivisnagen
  • Benecardin
  • Benekardin
  • Bi-Kellina
  • BRN 0263185
  • Cardio-khellin
  • Chellin
  • Chellina
  • Chellina [Italian]
  • Corafurone
  • Coronin
  • Deltoside
  • EINECS 201-392-8
  • Eskel
  • Gynokhellan
  • Interkellin
  • Interkhellin
  • IT-033
  • Kalangin
  • Kelamin
  • Kelicor
  • Kelicorin
  • Kelincor
  • Kellin
  • Kellina
  • Kellosal
  • Keloid
  • Kelourin
  • Khelangin
  • Khelfren
  • Khelisem
  • Khellamine
  • Khellanals
  • Khellin
  • Khelline
  • Khelline I
  • Khelline [INN-French]
  • Khellinorm
  • Khellinum
  • Khellinum [INN-Latin]
  • Khelloyd
  • Lynamine
  • Medekellin
  • Mefurina
  • Methafrone
  • Norkel
  • NSC 25509
  • NSC 37744
  • Quelina
  • Quelina [INN-Spanish]
  • Rykellin
  • Simeskellina
  • UNII-5G117T0TJZ
  • Vasokellina
  • Visammimix
  • Visammin
  • Viscardan
  • Visnagalin
  • Visnagen

Systematic Names

  • 4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one
  • 5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-
  • Khellin

Registry Numbers

CAS Registry Number

  • 82-02-0

FDA UNII

  • 5G117T0TJZ

System Generated Number

  • 0000082020

Structure Descriptors

InChI

1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

InChIKey

HSMPDPBYAYSOBC-UHFFFAOYSA-N

Smiles

c12c(c(c3c(c1OC)cco3)OC)oc(cc2=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 83mg/kg (83mg/kg)   Journal of Drug Research. Vol. 7(2), Pg. 1, 1975.
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 561, 1958.
mouse LD50 intravenous 30600ug/kg (30.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 915, 1961.
mouse LD50 oral 50800ug/kg (50.8mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 915, 1961.
rat LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Drug Research. Vol. 9(1-2), Pg. 35, 1977.
rat LD50 intravenous 34400ug/kg (34.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 915, 1961.
rat LD50 oral 68800ug/kg (68.8mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 915, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 154.5 dec deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Water Solubility 1040 mg/L 25 EXP
Atmospheric OH Rate Constant 2.32E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.