(5Alpha)-4,5-环氧基-14-羟基-3-甲氧基**烷-6-酮 | 57664-96-7
中文名称:
(5Alpha)-4,5-环氧基-14-羟基-3-甲氧基**烷-6-酮
英文名称:
Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-, (5a)-
CAS No.:
57664-96-7
分子式:
C1 7 H1 9 NO4
分子量:
301.33706
名称和标识符
InChIKey
RIKMCJUNPCRFMW-ISWURRPUSA-N
Inchi
InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
SMILES
COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(=O)CC5)O)C=C1
别名信息
- 中文别名 -
4,5-α-环氧- 14 -羟基- 3 -甲氧基- 17-甲基- 呋喃
(5Alpha)-4,5-环氧基-14-羟基-3-甲氧基**烷-6-酮
- 英文别名 -
Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-, (5a)-
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
NOROXYCODONE
(5alpha)-4,5-Epoxy-14-hydroxy-3-methoxymorphinan-6-one
7,8-Dihydro-14-hydroxynorcodeinone
Dihydro-14-hydroxy-norcodeinon
EINECS 260-887-7
Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-,(5alpha)
Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-,(5alpha)-(9CI)
N-noroxycodone
CHEMBL3527426
(1S,5R,13R,17S)-17-hydroxy-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
95Q949779D
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one
Oxykodon
Noroxycodone
BDBM50505669
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5.alpha.)-
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5alpha)-
Q27271817
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
OXYCODONE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
DTXSID60973261
UNII-95Q949779D
CHEBI:168092
SCHEMBL4705032
RIKMCJUNPCRFMW-ISWURRPUSA-N
57664-96-7
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one
NS00004456
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5alpha)- (9CI)
NORCODEINONE, DIHYDRO-14-HYDROXY-
物化性质
实验特性
LogP
1.74310
PSA
67.79000
熔点
166-168°C
计算特性
精确分子量
302.13900
氢键供体数量
2
氢键受体数量
5
可旋转化学键数量
1
同位素质量
301.13140809g/mol
重原子数量
22
复杂度
525
同位素原子数量
0
确定原子立构中心数量
4
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
0.7
拓扑分子极性表面积
67.8Ų
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(5Alpha)-4,5-环氧基-14-羟基-3-甲氧基**烷-6-酮推荐生产厂家