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diacetyl ajmaline
(+)-ajmaline
Conditions | Yield |
---|---|
With potassium carbonate In methanol for 48h; Ambient temperature; | 93% |
(6S,8S,9S,10S,1'S)-5-methyl-8-(1'-ethyl-oxomethyl)-9-(1',3'-dioxolan-2'-yl)-12-benzyl-6,7,8,9,10,11-hexahydro-6,10-imino-5H-cyclooct[b]-indole
(+)-ajmaline
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1: H2 / 10 percent Pd/C / 1,2-dimethoxy-ethane / 48 h / 760 Torr 2: DMAP / 1,2-dimethoxy-ethane / 2 h 3: aq. conc. HCl / acetic acid / 3 h / Ambient temperature 4: HCl(g) / 48 h / Ambient temperature 5: 35.6 percent / BF3*Et2O, H2 / PtO2 / CH2Cl2 / 24 h / 760 Torr 6: 93 percent / aq. K2CO3 / methanol / 48 h / Ambient temperature View Scheme |
21-O-acetylajmalal A ethylene acetal
(+)-ajmaline
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: aq. conc. HCl / acetic acid / 3 h / Ambient temperature 2: HCl(g) / 48 h / Ambient temperature 3: 35.6 percent / BF3*Et2O, H2 / PtO2 / CH2Cl2 / 24 h / 760 Torr 4: 93 percent / aq. K2CO3 / methanol / 48 h / Ambient temperature View Scheme |
(+)-ajmaline
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: HCl(g) / 48 h / Ambient temperature 2: 35.6 percent / BF3*Et2O, H2 / PtO2 / CH2Cl2 / 24 h / 760 Torr 3: 93 percent / aq. K2CO3 / methanol / 48 h / Ambient temperature View Scheme |
(+)-ajmaline
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: DMAP / 1,2-dimethoxy-ethane / 2 h 2: aq. conc. HCl / acetic acid / 3 h / Ambient temperature 3: HCl(g) / 48 h / Ambient temperature 4: 35.6 percent / BF3*Et2O, H2 / PtO2 / CH2Cl2 / 24 h / 760 Torr 5: 93 percent / aq. K2CO3 / methanol / 48 h / Ambient temperature View Scheme |
2-epihydroxydiacetylajmaline
(+)-ajmaline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 35.6 percent / BF3*Et2O, H2 / PtO2 / CH2Cl2 / 24 h / 760 Torr 2: 93 percent / aq. K2CO3 / methanol / 48 h / Ambient temperature View Scheme |
(+)-ajmaline
Conditions | Yield |
---|---|
With hydrazine | 96% |
(+)-ajmaline
Conditions | Yield |
---|---|
With air; hydroxylamine hydrochloride In ethanol Ring cleavage; oxidation; Heating; | 89% |
Conditions | Yield |
---|---|
In ethanol at 70 - 75℃; for 6h; | 81.9% |
1,2:3,4-di-O-isopropylidene-6-O-trifluoromethanesulfonyl-α-D-galactopyranose
(+)-ajmaline
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 12h; Ambient temperature; | 80% |
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. |