CAS No.478-61-5,Berbamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	478-61-5
Name:	Berbamine

Formula:	C₃₇H₄₀N₂O₆
Molecular Weight:	608.734
Synonyms:	Berbaman-12-ol,6,6',7-trimethoxy-2,2'-dimethyl-;Berbamine (6CI,7CI,8CI);(+)-Berbamine;16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol,3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-,[4aS-(4aR,16aS)]-;NSC 121842;d-Berbamine;16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol,3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-;
EINECS:	207-523-5
Density:	1.204 g/cm³
Melting Point:	225°C
Boiling Point:	706.985 °C at 760 mmHg
Flash Point:	381.371 °C
Appearance:	white crystal powder
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	72.86000
LogP:	6.73520

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Specification

The Berbamine, with the CAS registry number 478-61-5, is also known as 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol,3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-. It belongs to the product categories of Alkaloids; Anilines, Aromatic Amines and Nitro Compounds. Its EINECS number is 207-523-5. This chemical's molecular formula is C₃₇H₄₀N₂O₆ and molecular weight is 608.72. What's more, its systematic name is 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol. Its classification codes are: (1)Agricultural Chemical; (2)Analgesics; (3)Analgesics, Non-Narcotic; (4)Anti-Inflammatory Agents; (5)Anti-arrhythmia agents; (6)Anti-inflammatory agents, non-steroidal; (7)Antihypertensive agents; (8)Antirheumatic Agents; (9)Calcium channel blockers; (10)Cardiovascular Agents; (11)Drug / Therapeutic Agent; (12)Experimental pesticide; (13)Membrane Transport Modulators; (14)Natural Product; (15)Peripheral Nervous System Agents; (16)Sensory System Agents; (17)Unspecified / Unclassified pesticide. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides. It is a calcium channel blocker. It is a stimulative white blood cells hyperplasia medicine, and it is used for hypoleukocytosis caused by various reasons.

Physical properties of Berbamine are: (1)ACD/LogP: 3.326; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 44.59; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 345.06; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.86 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 173.33 cm³; (15)Molar Volume: 505.551 cm³; (16)Polarizability: 68.713×10^-24cm³; (17)Surface Tension: 44.67 dyne/cm; (18)Density: 1.204 g/cm³; (19)Flash Point: 381.371 °C; (20)Enthalpy of Vaporization: 107.113 kJ/mol; (21)Boiling Point: 706.985 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Berbamine: it can be used to produce berbamine acetate ester. It will need reagent pyridine. The yield is about 100%.

Berbamine can be used to produce berbamine acetate ester

You can still convert the following datas into molecular structure:
(1)SMILES: O(c7c(OC)cc4c5c7Oc1cc2c(cc1OC)CCN(C)[C@H]2Cc6ccc(Oc3cc(ccc3O)C[C@H]5N(C)CC4)cc6)C
(2)Std. InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
(3)Std. InChIKey: DFOCUWZXJBAUSQ-URLMMPGGSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)	Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.
mouse	LD50	intravenous	17430ug/kg (17.43mg/kg)	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 14, Pg. 45, 1983.
mouse	LD50	oral	1700mg/kg (1700mg/kg)	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 14, Pg. 45, 1983.
rat	LDLo	intraperitoneal	500mg/kg (500mg/kg)	National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 26, 1953.