Ajmaline: 0 Products found
Name
Ajmaline
EINECS
224-439-4
CAS No.
4360-12-7
Density
1.373 g/cm3
Solubility
Melting Point
189 °C
Formula
C20H26N2O2
Boiling Point
519.406 °C at 760 mmHg
Molecular Weight
326.48
Flash Point
285.155 °C
Transport Information
UN 1544
Appearance
White solid
Safety
13-45-36
Risk Codes
25-20/21/22
Molecular Structure
Hazard Symbols
Synonyms
Rhytmaton;Ajmalan-17,21-.alpha.diol;Ajmalan-17,21-diol, (17R,21alpha)-, compound with methanol (1:1);(17R,21-alpha)-Ajmalan-17,21-diol;Rauwolfine;Merabitol;Rauwolfin;Cardiorythmine;Rytmalin;Cartagine;Aritmina;Gilurytmal;Tachmalin;

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Others

The Ajmaline, with the CAS registry number 4360-12-7, is also known as Ajmalan-17,21-diol, (17R,21alpha)-. It belongs to the product categories of Alkaloids; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 224-439-4. This chemical's molecular formula is C20H26N2O2 and molecular weight is 326.43. What's more, its systematic name is called (15α,17R,21α)-Ajmalan-17,21-diol. It should be stored in a sealed place. Ajmaline is an alkaloid that is class Ia antiarrhythmic agent. It is often used to bring out typical findings of ST elevations in patients suspected of having Brugada syndrome.

Physical properties about Ajmaline are: (1)ACD/LogP: 1.806; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): 1.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.75; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 45.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.94 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 92.025 cm3; (15)Molar Volume: 237.825 cm3; (16)Polarizability: 36.482×10-24cm3; (17)Surface Tension: 67.635 dyne/cm; (18)Density: 1.373 g/cm3; (19)Flash Point: 285.155 °C; (20)Enthalpy of Vaporization: 83.397 kJ/mol; (21)Boiling Point: 519.406 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is toxic if swallowed. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing and keep away from food, drink and animal feeding stuffs. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@H]1[C@H]5C[C@@H]4N([C@@H]1O)[C@H]6C[C@]3(c2ccccc2N(C)[C@H]34)[C@H](O)C56
(2) InChI: InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11+,14-,15-,16?,17-,18+,19+,20+/m0/s1
(3) InChIKey: CJDRUOGAGYHKKD-SXKXKDIKSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 178mg/kg (178mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
child LDLo oral 53125ug/kg (53.125mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Journal of Forensic Sciences. Vol. 33, Pg. 558, 1988.
guinea pig LDLo intravenous 28mg/kg (28mg/kg) CARDIAC: CHANGE IN RATE Farmaco, Edizione Scientifica. Vol. 19, Pg. 865, 1964.
man TDLo oral 32mg/kg (32mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Heart Journal. Vol. 70, Pg. 719, 1965.
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 21mg/kg (21mg/kg)   European Journal of Toxicology and Environmental Hygiene. Vol. 8, Pg. 188, 1975.
mouse LD50 oral 255mg/kg (255mg/kg) CARDIAC: CHANGE IN RATE Farmaco, Edizione Scientifica. Vol. 19, Pg. 865, 1964.
mouse LD50 subcutaneous 180mg/kg (180mg/kg) CARDIAC: CHANGE IN RATE Farmaco, Edizione Scientifica. Vol. 19, Pg. 865, 1964.
mouse LD50 unreported 220mg/kg (220mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 331, 1987.
quail LDLo oral 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.
rat LD50 intraperitoneal 94mg/kg (94mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 331, 1987.
rat LD50 intravenous 26mg/kg (26mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.
rat LD50 oral 360mg/kg (360mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Pharmazie. Vol. 31, Pg. 39, 1976.
rat LD50 subcutaneous 216mg/kg (216mg/kg) CARDIAC: CHANGE IN RATE Farmaco, Edizione Scientifica. Vol. 19, Pg. 865, 1964.
women LDLo oral 50mg/kg (50mg/kg)   Journal of Forensic Sciences. Vol. 33, Pg. 558, 1988.