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25507-04-4 分子结构
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6-{2-chloro-1-[(1-methyl-4-propylpyrrolidin-2-yl)formamido]propyl}-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl hexadecanoate hydrochloride

ChemBase编号:73258
分子式:C34H64Cl2N2O6S
平均质量:699.85276
单一同位素质量:698.38621414
SMILES和InChIs

SMILES:
C1(C(OC(C(C1O)OC(=O)CCCCCCCCCCCCCCC)SC)C(C(C)Cl)NC(=O)C1N(CC(C1)CCC)C)O.Cl
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(C1O)O)C(C(Cl)C)NC(=O)C1CC(CN1C)CCC.Cl
InChI:
InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H
InChIKey:
GTNDZRUWKHDICY-UHFFFAOYSA-N

引用这个纪录

CBID:73258 http://www.chembase.cn/molecule-73258.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
6-{2-chloro-1-[(1-methyl-4-propylpyrrolidin-2-yl)formamido]propyl}-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl hexadecanoate hydrochloride
IUPAC传统名
6-{2-chloro-1-[(1-methyl-4-propylpyrrolidin-2-yl)formamido]propyl}-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl hexadecanoate hydrochloride
别名
Clindamycin palmitate HCl
CAS号
25507-04-4
PubChem SID
162038178
PubChem CID
17750962

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Selleck Chemicals
S2596 external link 加入购物车 请登录
数据来源 数据ID
PubChem 17750962 external link

理论计算性质

理论计算性质

JChem
Acid pKa 12.210342  质子受体
质子供体 LogD (pH = 5.5) 5.9182205 
LogD (pH = 7.4) 7.5753775  Log P 7.9587917 
摩尔折射率 179.3087 cm3 极化性 72.23234 Å3
极化表面积 108.33 Å2 可自由旋转的化学键 23 
里宾斯基五规则 false 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
保存条件
-20°C expand 查看数据来源
成盐信息
palmitate HCl expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals
Selleck Chemicals -  S2596 external link
Research Area: Infection
Biological Activity:
Clindamycin palmitate HCl is a water soluble hydrochloride salt of the ester of clindamycin and palmitic acid and a lincosamide antibiotic. Clindamycin palmitate HCl is a bacterial protein synthesis inhibitor by inhibiting ribosomal translocation, in a similar way to macrolides. Clindamycin palmitate HCl does so by binding to the 50S rRNA of the large bacterial ribosome subunit. Clindamycin palmitate HCl inhibits protein synthesis in susceptible bacteria at level of 50S ribosome, thereby inhibiting peptide bond formation and causing cell death. [1][2][3]References on Clindamycin palmitate HCl[1] Antimicrob Agents Chemother., 1973 Nov, 4(5):514-20[2] http://en.wikipedia.org/wiki/Clindamycin, , [3] J Antimicrob Chemother., 1981 Jun, 7 Suppl A:37-42

参考文献

参考文献

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  • Louria DB et al. J Antimicrob Chemother. 1981 Jun;7 Suppl A:37-42.
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专利

专利

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互联网资源

互联网资源

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