Tìm theo
Flavin adenine dinucleotide
Các tên gọi khác (7 ) :
  • Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
  • Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]
  • FAD
  • Flavin adenine dinucleotide
  • FLAVIN-adenine dinucleotide
  • Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine
  • Riboflavin 5'-adenosine diphosphate
Thuốc Gốc
Small Molecule
CAS: 146-14-5
CTHH: C27H33N9O15P2
PTK: 785.5497
A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972) Flavin adenine dinucleotide is approved for use in Japan under the trade name Adeflavin as an ophthalmic treatment for vitamin B2 deficiency.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H33N9O15P2
Phân tử khối
785.5497
Monoisotopic mass
785.157134455
InChI
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChI Key
InChIKey=VWWQXMAJTJZDQX-UYBVJOGSSA-N
IUPAC Name
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy})phosphinic acid
Traditional IUPAC Name
{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-3H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxyphosphinic acid
SMILES
CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
Độ hòa tan
4.25e+00 g/l
logP
-5.3
logS
-2.3
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
4.99
PSA
356.42 Å2
Refractivity
177.43 m3·mol-1
Polarizability
70.62 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
19
H Bond Donor Count
9
Physiological Charge
-3
Number of Rings
6
Bioavailability
0
MDDR-Like Rule
true
Độc Tính : Oral mouse LD50 > 7000 mg/kg. Intravenous mouse LD50 589 mg/kg.
Chỉ Định : Used to treat eye diseases caused by vitamin B2 deficiency, such as keratitis and blepharitis.
Liều Lượng & Cách Dùng : Solution - Ophthalmic - 0.05%
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Adeflavin
  • Công ty :
    Sản phẩm biệt dược : Flaziren
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03147
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=643975
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508543
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00016
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00005
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