Azithromycin EP Impurity A (Azathramycin, Desmethyl Azithromycin)（CAS号：76801-85-9）

阿奇霉素 A

基本信息

在编辑器中查看

CAS号

76801-85-9

分子式

C37H70N2O12

分子量

734.97 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

126-136°C

沸点

815.2°C at 760 mmHg

密度

1.18

SMILES

在编辑器中查看

CCC1C(C(C(NCC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

InChIKey

HRKNNHYKWGYTEN-HOQMJRDDSA-N

LogP

1.5585000000000058

拓扑极性表面积

188.86999999999998 Å²

氢键供体/受体

6 / 14

复杂度

1120

安全信息

查看安全信息

危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

DESMETHYL
Azaerythromycin A
AKOS025401474
9-Deoxo-9a-aza-9a-homo Erythromycin A Desmethyl Azithromycin
4LSP9FJT5B
DESMETHYL AZITHROMYCIN
Azaerythromycin
CS-1474
(2R,3S,4R,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-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
10-Dihydro-10-deoxo-11-azaerythromycin A
MFCD09038719
6-Demethylazithromycin (Azaerythromycin A)
9-Deoxo-9a-aza-9a-homoerythromycin A
CHEMBL1222181
AZAERYTHROMYCIN A [USP-RS]
2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-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
SCHEMBL6920246
DTXSID30998123
EC 616-385-9
AZITHROMYCIN IMPURITY A [EP IMPURITY]
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yloxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
s4978
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
HRKNNHYKWGYTEN-HOQMJRDDSA-N
HY-17442
CCG-270420
(Desmethyl Azithromycin)
AC-18936
76801-85-9
desmethyl-azithromycin
Azathramycin