Tìm theo
Nicotinamide
Thuốc Gốc
Small Molecule
CAS: 98-92-0
CTHH: C6H6N2O
PTK: 122.1246
An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H6N2O
Phân tử khối
122.1246
Monoisotopic mass
122.048012824
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChI Key
InChIKey=DFPAKSUCGFBDDF-UHFFFAOYSA-N
IUPAC Name
pyridine-3-carboxamide
Traditional IUPAC Name
nicotinamide
SMILES
NC(=O)C1=CC=CN=C1
Độ tan chảy
130 °C
Độ sôi
157 °C at 5.00E-04 mm Hg
Độ hòa tan
5E+005 mg/L (at 25 °C)
logP
-0.37
logS
0.61
pKa (strongest acidic)
13.39
pKa (Strongest Basic)
3.63
PSA
55.98 Å2
Refractivity
32.98 m3·mol-1
Polarizability
11.71 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
3.35 (at 20 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02701
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=936
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507386
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00153
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00036
ChemSpider
http://www.chemspider.com/Chemical-Structure.911.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27507
Wikipedia
http://en.wikipedia.org/wiki/Nicotinamide
Drugs.com
http://www.drugs.com/cdi/niacinamide-gel.html
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