CAS No.148611-75-0,MIRISETRON MALEATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	148611-75-0
Name:	MIRISETRON MALEATE

Formula:	C₂₈H₃₅N₃O₆
Molecular Weight:	509.594
Synonyms:	but-2-enedioic acid; 1-cyclohexyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-4-oxo-quinoline-3-carboxamide;3-Quinolinecarboxamide, 1-cyclohexyl-1,4-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-4-oxo-, endo-, (Z)-2-butenedioate (1:1);Mirisetron maleate [USAN];1-Cyclohexyl-1,4-dihydro-4-oxo-N-1alphaH,5alphaH-tropan-3alpha-yl-3-quinolinecarboxamide maleate (1:1);WAY-SEC-579;3-Quinolinecarboxamide,1-cyclohexyl-1,4- dihydro-N-[(3-endo)-8-methyl-8-azabicyclo- [3.2.1]oct-3-yl]-4-oxo-,(2Z)-2-butenedioate (1:1);
Density:	g/cm³
Boiling Point:	573.6°Cat760mmHg
Flash Point:	300.7°C
PSA:	132.43000
LogP:	4.08620

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Specification

The Mirisetron maleate , with the CAS registry number 148611-75-0, is also known 1-Cyclohexyl-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide (2Z)-2-butenedioate (1:1).It belongs to the product Organic matters.It is used for Manufacturing resin and acetic aldehyde .This chemical's molecular formula is C₂₈H₃₅N₃O₆ and molecular weight is 509.59. What's more,Its systematic name is 1-Cyclohexyl-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide (2Z)-2-butenedioate (1:1).

Physical properties about Mirisetron maleate are: (1)ACD/LogP: 3.135; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)Flash Point: 404 °C; (11)Enthalpy of Vaporization: 113.91 kJ/mol; (12)Boiling Point: 744.4 °C at 760 mmHg; (13)Vapour Pressure: 2.84E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:OC(=O)/C=C\C(O)=O.CN5[C@@H]1CC[C@H]5C[C@H](C1)NC(=O)C/3=C/N(c2ccccc2C\3=O)C4CCCCC4;
(2)Std. InChI:InChI=1S/C24H31N3O2.C4H4O4/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28;5-3(6)1-2-4(7)8/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,18+,19-;
(3)Std. InChIKey:OQIHDZMOAKTHKW-HNJJWOJJSA-N.