Azithromycin EP Impurity B (Azithromycin B)（CAS号：307974-61-4）

阿奇霉素杂质B

基本信息

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CAS号

307974-61-4

分子式

C38H72N2O11

分子量

733 g/mol

基本物理性质

物理状态

White to Yellow

熔点

98-102°C

沸点

795.6±60.0 °C(Predicted)

密度

1.15±0.1 g/cm3(Predicted)

闪点

435.0±32.9 °C

溶解度

Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Sl

蒸气压

0.0±6.3 mmHg at 25°C

SMILES

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CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@H]1C

InChI

InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1

InChIKey

JBYIGHZCRVMHAK-VINPOOLWSA-N

LogP

2.7858000000000054

pKa

13.50±0.70(Predicted)

拓扑极性表面积

159.85000000000002 Å²

氢键供体/受体

4 / 13

安全信息

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危险说明

同义词与引用数据

英文

AZITHROMYCIN IMPURITY B
AzithroMycin B
Azithromycin EP Impurity B
(2R,3R,4R,5R,8R,10R,11R,12R,13S,14R)-11-(((2S,3S,4S)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-4,10-dihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-
Azithromycin EP mpurity B
Azithromycin EP Impurity B/(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-4,10-dihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,
Azithromycin Impurit Ⅱ:( Impurit B)(Azithromycin B) (2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-4,10-dihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-
(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10-dihydroxy-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
(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]ox
Azithromycin B
(2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-4,10-dihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

中文

阿奇霉素B
阿奇霉素EP杂质B
阿奇霉素杂质B
3-去羟基阿奇霉素
3-去氧阿奇霉素
3-脱氧阿奇霉素
阿奇霉素杂质Ⅱ（杂质B）［阿奇霉素B］（2R，3R，4S，5R，8R，10R，11R，12S，13S，14R）-13-［［2，6-双脱氧-3-C-甲基-3-O-甲基-α-L-核糖-吡喃己糖基］氧］-2-乙基-4，10-二羟基-3，5，6，8，10，12，14-七甲基-11-［［3，4，6-三脱氧-3-（二甲氨基）-β-D-木糖-吡喃己糖基］氧］-1-氧杂-6-氮杂环十五烷-15-酮
阿奇霉素杂质Ⅱ(杂质B)[阿奇霉素B](2R,3R,4S,5R,8R,10R,11R,12S,13S,14R)-13-[[2,6-双脱氧-3-C-甲基-3-O-甲基-Α-L-核糖-吡喃己糖基]氧]-2-乙基-4,10-二羟基-3,5,6,8,10,12,14-七甲基-11-[[3,4,6-三脱氧-3-(二甲氨基)-Β-D-木糖-吡喃己糖基]氧]-1-氧杂-6-氮杂环十五烷-15-酮