Product Name

  • Name

    KHELLIN

  • EINECS 201-392-8
  • CAS No. 82-02-0
  • Article Data26
  • CAS DataBase
  • Density 1.301 g/cm3
  • Solubility 247.2g/L(25 oC)
  • Melting Point 150-154°C
  • Formula C14H12 O5
  • Boiling Point 482.1 °C at 760 mmHg
  • Molecular Weight 260.246
  • Flash Point 218.8 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance light yellow crystalline
  • Safety 36/37/39-45
  • Risk Codes 25-38
  • Molecular Structure Molecular Structure of 82-02-0 (KHELLIN)
  • Hazard Symbols ToxicT
  • Synonyms 4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene;4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene;4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran;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; Amicardien; Amicardine; Amikellin;Ammipuran; Ammispasmin; Ammivin; Ammivisnagen; Benecardin; Benekardin;Cardio-khellin; Corafurone; Coronin; Eskel; Gynokhellan; Gynokhellin; Hkelfren;Kalangin; Kelamin; Kelicor; Kelicorin; Kellosal; Keloid; Khelfren; Khelisem;Khellin; Khelline I; Khelloyd; Lynamine; Medekellin; Methafrone; NSC 25509; NSC37744; NSC 8519; Norkel; Simeskellina; Vasokellina; Visammin; Viscardan;Visnagalin; Visnagen
  • PSA 61.81000
  • LogP 2.86480

Ammicardine Chemical Properties

Molecular Formula: C14H12O5
Molar mass: 260.2421 g/mol
EINECS: 201-392-8
Density: 1.301 g/cm3
Flash Point: 218.8 °C
Index of Refraction: 1.595
Boiling Point: 482.1 °C at 760 mmHg
Vapour Pressure: 1.88E-09 mmHg at 25°C
Melting point: 150-154°C
Storage temp: -20°C
Form: Crystalline
Color: Light yellow
Structure of Ammicardine (82-02-0):

XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Systematic Name of Ammicardine (82-02-0): 4,9-Dimethoxy-7-methyl-pyrano[3,2-f]benzofuran-5-one 
SMILES: O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC 
InChI: InChI=1/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-UHFFFAOYAZ 
Std. InChI: 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 
Std. InChIKey: HSMPDPBYAYSOBC-UHFFFAOYSA-N

Ammicardine Toxicity Data With Reference

1.    

orl-rat LD50:68,800 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),915.
2.    

ipr-rat LD50:70 mg/kg

     JDGRAX    Journal of Drug Research. 9 (1-2),(1977),35.
3.    

ivn-rat LD50:34 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),848.
4.    

orl-mus LD50:50,800 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),915.
5.    

ipr-mus LD50:155 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 13 (1958),561.
6.    

ivn-mus LD50:30,600 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),915.
7.    

ims-mus LD50:83 mg/kg

     JDGRAX    Journal of Drug Research. 9 (1-2),(1977),35.

Ammicardine Consensus Reports

EPA Genetic Toxicology Program.

Ammicardine Safety Profile

Poison by ingestion, intraperitoneal, intramuscular, and intravenous routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. A vasodilator.
 

Hazard Codes: T
Risk Statements:
23:  Toxic by inhalation
24:  Toxic in contact with skin 
25:  Toxic if swallowed
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Ammicardine Specification

 Ammicardine (82-02-0) is a drug that is a barbiturate derivative, and also can be called khellin ; Amicardine ; 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 ;and 4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran .

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