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Berbamine dihydrochloride

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Name

Berbamine dihydrochloride

EINECS N/A
CAS No. 6078-17-7 Density N/A
PSA 72.86000 LogP 7.53720
Solubility N/A Melting Point 270 °C
Formula C37H40N2O6.2HCl Boiling Point 744.4 °C at 760 mmHg
Molecular Weight 681.656 Flash Point 404 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 6078-17-7 (BERBAMINE DIHYDROCHLORIDE) Hazard Symbols Xn
Synonyms

Berbamine,dihydrochloride (7CI,8CI);16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline,berbaman-12-ol deriv.;

Article Data 1

Berbamine dihydrochloride Specification

The Berbaman-12-ol,6,6',7-trimethoxy-2,2'-dimethyl-, dihydrochloride (9Cl), with the CAS registry number 6078-17-7, is also known as Berbamine,dihydrochloride (7CI,8CI). It should be stored in the dry and cool sealed containers. And the molecular formula of the chemical is C37H42Cl2N2O5. Its systematic name is called 6,6',7-trimethoxy-2,2'-dimethylberbaman-12-ol dihydrochloride.

The characteristics of Berbaman-12-ol,6,6',7-trimethoxy-2,2'-dimethyl-, dihydrochloride (9Cl) are as followings: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 120.22; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 701.75; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.86Å2; (13)Flash Point: 404 °C; (14)Enthalpy of Vaporization: 112.37 kJ/mol; (15)Boiling Point: 744.4 °C at 760 mmHg; (16)Vapour Pressure: 6.44E-23 mmHg at 25°C. 

When you are using this chemical, please be cautious about it as the following:
This chemical is irritates to eyes, respiratory system and skin. It is harmful if swollowed. Whenever you will contact it, please wear suitable protective clothing. What's more, if in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Cl.O(c7c(OC)cc4c5c7Oc1cc2c(cc1OC)CCN(C)[C@H]2Cc6ccc(Oc3cc(ccc3O)C[C@H]5N(C)CC4)cc6)C
(2)InChI: InChI=1/C37H40N2O6.2ClH/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;2*1H/t28-,29+;;/m0../s1
(3)InChIKey: USRXDYNDPPUBSG-KKXMJGKMBG

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