Tìm theo
Moxalactam Derivative
Thuốc Gốc
Small Molecule
CTHH: C18H18N2O9
PTK: 406.3435
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18N2O9
Phân tử khối
406.3435
Monoisotopic mass
406.101230184
InChI
InChI=1S/C18H18N2O9/c1-8-7-29-17-18(28-2,16(27)20(17)12(8)15(25)26)19-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,17,21H,7H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/t11-,17+,18-/m0/s1
InChI Key
InChIKey=GYYVEEGHXUADBF-PDSMFRHLSA-N
IUPAC Name
(6R,7R)-7-[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional IUPAC Name
(6R,7R)-7-[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
[H][C@@](C(O)=O)(C(=O)N[C@]1(OC)C(=O)N2C(C(O)=O)=C(C)CO[C@]12[H])C1=CC=C(O)C=C1
Độ hòa tan
2.13e+00 g/l
logP
0.37
logS
-2.3
pKa (strongest acidic)
3.02
pKa (Strongest Basic)
-4
PSA
162.7 Å2
Refractivity
94.37 m3·mol-1
Polarizability
37.65 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tương Tác Thuốc :
  • Probenecid Probenecid may increase the serum level of the moxalactam derivative.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02588
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=17754085
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506599
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