Tìm theo
Cephalothin Group
Thuốc Gốc
Small Molecule
CTHH: C16H18N2O6S2
PTK: 398.454
Cephalothin group is a solid. This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atom in ring positions 1 and 3 respectively, as well as two double bonds. This substance is known to target beta-lactamase Toho-1 and D-alanyl-D-alanine carboxypeptidase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H18N2O6S2
Phân tử khối
398.454
Monoisotopic mass
398.060627698
InChI
InChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1
InChI Key
InChIKey=UUWFGEKEQSCSMB-IAQYHMDHSA-N
IUPAC Name
(2R)-5-(2-methoxy-2-oxoethyl)-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Traditional IUPAC Name
(2R)-5-(2-methoxy-2-oxoethyl)-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SMILES
[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(CC(=O)OC)CS1
Độ hòa tan
2.79e-02 g/l
logP
0.13
logS
-4.2
pKa (strongest acidic)
3.76
pKa (Strongest Basic)
-2.5
PSA
121.8 Å2
Refractivity
96.06 m3·mol-1
Polarizability
38.44 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tương Tác Thuốc :
  • Gentamicin Increased risk of nephrotoxicity
  • Netilmicin Increased risk of nephrotoxicity
  • Probenecid Probenecid may increase the serum level of cephalothin.
  • Tobramycin Increased risk of nephrotoxicity
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03450
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936680
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506959
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