3D 相似结构

阿奇霉素二水物 117772-70-0

CAS号： 117772-70-0
分子式：C38H76N2O14
更新时间：2024-03-31 11:34
用途：

基本信息
物化属性
安全信息
海关数据
化学数据
MSDS
中文SDS
英文SDS
国内供应商

基本信息

中文名称阿奇霉素二水物
中文别名阿齐霉素二水合物; 阿奇霉素(标准品); 阿奇霉素二水合物标准品; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(二甲基胺基)-3-羟基-6-甲基四氢-2H-吡喃-2-基)氧基)-2-乙基-3,4,10-三羟基-13-(((2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢-2H-吡喃-2-基)氧基]-3,5,6,8,10,12,14-七甲基-1-氧杂-6-氮杂环十五烷-15-酮二水合物; 9-脱氧-9a-氮杂-9a-红霉素A; 阿奇霉素二水合物; A116-阿奇霉素二水物; 阿奇霉素; 布立尼布; 阿齐霉素;
英文名称Azithromycin dihydrate
英文别名azithromycin hydrate; AZITHROMYCINDIHYDRATE(PATENTED-NOSUPPLY); Azithromycin, CP 62993; AZITHROMYCIN 2-HYDRATE; 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, dihydrate, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-; 1-Oxa-6-azacyclopentadecan-15-one, 13-(2,6-dideoxy-3-C-methyl-3-O-methyl-.alpha.-L-ribo-hexopyranosyl)oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-3,4,6-trideoxy-3-(dimethylamino)-.beta.-D-xylo-hexopyranosyloxy-, dihydrate, (2R,3S,4R,5R,8; CS-1348; 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, dihydrate, (2R,3S,4R,5R,8R,10R; Azithromycin (hydrate); (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-Β-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside dihydrate; 1-Oxa-6-azacyclopentadecan-15-one; N-Methyl-11-aza-10-deoxo-10-dihydroerythromycin A CP-62993; 1-oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-Β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-, hydrate (1:2); 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-b Η-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-, hydrate (1:2); Azithromycindihydrate; 2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-((3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside; 2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,; 1-oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methylhexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]-; 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methylhexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]ox y]-; -dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside dihydrate; η-D-xylo-hexopyranosyl]oxy]-, (2S,3S,4R,5R,8R,10R,11R,13S,14R)-, hydrate (1:2); 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-b (2S,3S,4R,5R,8R,10R,11R,13S,14R)-2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6 ranosyl]oxy]-1-oxa-7-azacyclohexadec-14-yl]-4-C-methyl-4-O-methyl-; xa-7-azacyclohexadecan-14-yl]-6-methyl-4-C-methyl-4-O-methyl-L-arabino-hexitol; (6S)-2,6-Anhydro-1,3-dideoxy-1-[(2R,3S,4R,9R,11R,12R,13S,14S,15R)-2-ethyl-3,4,11-trihydroxy-3,6,7,9,11,13,15-heptamethyl-16-oxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-o L-altro-Heptitol, 2,6-anhydro-1,3,7-trideoxy-1-[(2R,3S,4R,9R,11R,12R,13S,14S,15R)-2-ethyl-3,4,11-trihydroxy-3,6,7,9,11,13,15-heptamethyl-16-oxo-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopy 展开∨
CAS号117772-70-0
国际化联命名(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

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物化属性

密度：1.18
熔点：113-115

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安全信息

海关编码：29419000
危险品运输编码：NONH for all modes of transport
WGK Germany：3
危险类别码：R36/37/38
安全说明：24/25-36/37/39
RTECS号：RN6960000
危险品标志：Xi

海关数据

中国海关编码：29419000

化学数据

分子量：748.996[g/mol]
化合物是否规范：True
疏水参数计算参考值（XLogP3-AA）：null
准确质量：784.52965510
同位素质量：784.52965510
复杂度：1150
可旋转化学键数量：7
氢键供体数量：7
氢键受体计数：16
拓扑极表面积：182
重原子数量：54
确定原子立构中心数量：18
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
同位素原子计数：0
共价键单元数量：3
CACTVS Substructure Key Fingerprint：AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAACQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIACXAAH4/P7OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==