(4S,4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl isobutyrate -Drug Synthesis Database

【结构式】

【分子编号】67283

【品名】(4S,4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl isobutyrate

【CA登记号】　

【分子式】C₂₄H₂₉NO₅

【分子量】411.498

【元素组成】C 70.05% H 7.1% N 3.4% O 19.44%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(II)

【1】 Doshan HD, Perez J. 2006. Synthesis of (R)-N-methylnaltrexone. WO 2006127899.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	25079	(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10-trien-14-one; Naltrexone	16590-41-3	C₂₀H₂₃NO₄	详情	详情
(II)	67283	(4S,4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl isobutyrate		C₂₄H₂₉NO₅	详情	详情
(III)	67284	(4S,4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a-hydroxy-9-(isobutyryloxy)-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium iodide		C₂₅H₃₂INO₅	详情	详情
(IV)	67282	(4S,4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide		C₂₁H₂₇BrNO₄	详情	详情

Extended Information