Tìm theo
Gemcabene
Thuốc Gốc
Small Molecule
CAS: 183293-82-5
CTHH: C16H30O5
PTK: 302.4064
Gemcabene is a new drug that lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C).
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H30O5
Phân tử khối
302.4064
Monoisotopic mass
302.20932407
InChI
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
InChI Key
InChIKey=SDMBRCRVFFHJKR-UHFFFAOYSA-N
IUPAC Name
6-[(5-carboxy-5,5-dimethylpentyl)oxy]-2,2-dimethylhexanoic acid
Traditional IUPAC Name
6-[(5-carboxy-5,5-dimethylpentyl)oxy]-2,2-dimethylhexanoic acid
SMILES
CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O
Độ hòa tan
6.08e-02 g/l
logP
4.11
logS
-3.7
pKa (strongest acidic)
4.38
pKa (Strongest Basic)
-4.1
PSA
83.83 Å2
Refractivity
80.65 m3·mol-1
Polarizability
35.21 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Chỉ Định : Investigated for use/treatment in atherosclerosis, cardiovascular disorders, and hyperlipidemia.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05123
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=157692
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10253171
ChemSpider
http://www.chemspider.com/Chemical-Structure.138760.html
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