Tìm theo
Clorobiocin
Các tên gọi khác (1) :
  • Chlorobiocin
Thuốc trị ký sinh trùng, chống nhiễm khuẩn
Thuốc Gốc
Small Molecule
CAS: 39868-96-7
CTHH: C35H36ClN2O11
PTK: 696.12
Clorobiocin is an aminocoumarin antibiotic, similar to novobiocin and coumermycin A1.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C35H36ClN2O11
Phân tử khối
696.12
Monoisotopic mass
695.200762711
IUPAC Name
(3S,4R,5R,6S)-6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-2-oxo-2H-chromen-7-yl)oxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl 5-methylpyrrole-2-carboxylate
Traditional IUPAC Name
(3S,4R,5R,6S)-6-({8-chloro-4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-2-oxochromen-7-yl}oxy)-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl 5-methylpyrrole-2-carboxylate
SMILES
CO[C@H]1[C@H](OC(=O)c2ccc(C)n2)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2Cl)OC1(C)C
Độ hòa tan
3.28e-03 g/l
logP
4.51
logS
-5.3
pKa (strongest acidic)
6.51
pKa (Strongest Basic)
3.27
PSA
182.97 Å2
Refractivity
177.72 m3·mol-1
Polarizability
71.7 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03966
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936849
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505267
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C12032
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