Tìm theo
Aurodox
Các tên gọi khác (3) :
  • 1-Methylmocimycin
  • Goldinodox
  • Goldinomycin
Thuốc trị ký sinh trùng, chống nhiễm khuẩn
Thuốc Gốc
Small Molecule
CAS: 12704-90-4
CTHH: C44H62N2O12
PTK: 810.9693
Aurodox is an antibiotic obtained from a streptomyces variant considered as possibly effective against streptococcus pyogenes infections. It may promote growth in poultry.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C44H62N2O12
Phân tử khối
810.9693
Monoisotopic mass
810.430275458
InChI
InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10+,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29+,31-,32-,35-,36+,37+,38-,39-,40+,44-/m0/s1
InChI Key
InChIKey=NTAHMPNXQOYXSX-UFLBAAKSSA-N
IUPAC Name
(2S)-N-[(2E,4E,6S,7S)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-[(2S,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dien-1-yl]oxan-2-yl]butanamide
Traditional IUPAC Name
aurodox
SMILES
CC[C@H](C(=O)NC\C=C\C=C(/C)[C@@H](OC)[C@H](C)[C@@H]1O[C@@H](\C=C\C=C\C=C(/C)C(=O)C2=C(O)C=CN(C)C2=O)[C@H](O)[C@H]1O)[C@]1(O)O[C@@H](\C=C\C=C\C)C(C)(C)[C@@H](O)[C@H]1O
Độ hòa tan
6.98e-03 g/l
logP
3.5
logS
-5.1
pKa (strongest acidic)
8.12
pKa (Strongest Basic)
-2
PSA
215.55 Å2
Refractivity
227.78 m3·mol-1
Polarizability
89.07 Å3
Rotatable Bond Count
17
H Bond Acceptor Count
12
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04124
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936896
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506336
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