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CAS No.: | 82-02-0 |
---|---|
Name: | KHELLIN |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C14H12 O5 |
Molecular Weight: | 260.246 |
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 |
EINECS: | 201-392-8 |
Density: | 1.301 g/cm3 |
Melting Point: | 150-154°C |
Boiling Point: | 482.1 °C at 760 mmHg |
Flash Point: | 218.8 °C |
Solubility: | 247.2g/L(25 oC) |
Appearance: | light yellow crystalline |
Hazard Symbols: | T |
Risk Codes: | 25-38 |
Safety: | 36/37/39-45 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 61.81000 |
LogP: | 2.86480 |
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
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. |
EPA Genetic Toxicology Program.
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 (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 .