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CAS No.: | 857876-30-3 |
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Name: | AMG-706 |
Molecular Structure: | |
Formula: | C22H29N5O9P2 |
Molecular Weight: | 569.4413 |
Synonyms: | N-(3, 3-Dimethyl-2, 3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide bis(phosphate); |
Boiling Point: | 858.7 °C at 760 mmHg |
Flash Point: | 473.1 °C |
PSA: | 257.57000 |
LogP: | 2.78190 |
The Motesanib diphosphate, with the CAS registry number 857876-30-3, is also known as N-(3, 3-Dimethyl-2, 3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide bis(phosphate). This chemical's molecular formula is C22H29N5O9P2 and molecular weight is 569.4413. What's more, its IUPAC name is N-(3, 3-Dimethyl-1, 2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; phosphoric acid. This chemical's classification codes are Antiangiogenesis agents; Antineoplastic Agents.
Physical properties about Motesanib diphosphate are: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 14; (3)#H bond donors: 9; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 161.71 Å2; (6)Flash Point: 473.1 °C; (7)Enthalpy of Vaporization: 130.75 kJ/mol; (8)Boiling Point: 858.7 °C at 760 mmHg; (9)Vapour Pressure: 2.04E-31 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)O.O=P(O)(O)O.O=C(c2cccnc2NCc1ccncc1)Nc3ccc4c(c3)NCC4(C)C
(2) InChI: InChI=1/C22H23N5O.2H3O4P/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15;2*1-5(2,3)4/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28);2*(H3,1,2,3,4)
(3) InChIKey: ONDPWWDPQDCQNJ-UHFFFAOYAN