(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

• ChemBase编号: 72772
• 分子式: C37H67NO13
• 平均质量: 733.92678
• 单一同位素质量: 733.46124121
• SMILES: C1[C@H](C(=O)[C@@H]([C@@H](O)[C@@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@@H](O[C@H]2[C@@H]([C@@H](CC(O2)C)N(C)C)O)[C@]1(C)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@](C1)(OC)C)O)C)C)CC)(O)C)C)C
• Canonical SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2OC(C)C[C@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
• InChI: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
• InChIKey: ULGZDMOVFRHVEP-DXDQCMQHSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
• IUPAC传统名: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
• 别名: Eryc; Erymax; Ery-Tab; Emgel; Erythromycin

登记号

• CAS号: 114-07-8
• PubChem SID: 162037693
• PubChem CID: 49867933

理论计算性质

• Acid pKa: 12.438841
• 质子受体: 13
• 质子供体: 5
• LogD (pH = 5.5): -0.1920999
• LogD (pH = 7.4): 1.5732646
• Log P: 2.5963888
• 摩尔折射率: 186.0371 cm^3
• 极化性: 75.76136 Å^3
• 极化表面积: 193.91 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1635

Research Area: Infection
Biological Activity:
Erythromycin is a macrolide antibiotic that has an antimicrobial spectrum similar to or slightly wider than that of penicillin, and is often used for people who have an allergy to penicillins. For respiratory tract infections, it has better coverage of atypical organisms, including mycoplasma and Legionellosis. [1] In a study of in-vitro and in-vivo susceptibility of Borrelia burgdorferito, erythromycin possessed low activity, having an ED50 of 122.2 (±51.9) mg/kg. [2] For erythromycin, an IC50 of 1.5 μg/ml was observed, indicating a fourfold lower sensitivity of the organisms to this compound. [3]

参考文献

• http://en.wikipedia.org/wiki/Erythromycin