Hydrolyzed Cephalothin
Thuốc Gốc
Small Molecule
CTHH: C14H16N2O5S2
PTK: 356.417
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
356.417
Monoisotopic mass
356.050063012
InChI
InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1
InChI Key
InChIKey=JRYZEMHNDUZNMI-RYUDHWBXSA-N
IUPAC Name
(2S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Traditional IUPAC Name
(2S)-2-[(R)-carboxy[2-(thiophen-2-yl)acetamido]methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SMILES
[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)[C@@]1([H])NC(C(O)=O)=C(C)CS1
Độ hòa tan
3.74e-02 g/l
logP
1.02
logS
-4
pKa (strongest acidic)
3.62
pKa (Strongest Basic)
-0.87
PSA
115.73 Å2
Refractivity
85.95 m3·mol-1
Polarizability
33.68 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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