Tìm theo
Fumagillin
Thuốc Gốc
Small Molecule
CAS: 23110-15-8
ATC: P01AX10
CTHH: C26H36O7
PTK: 460.5598
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H36O7
Phân tử khối
460.5598
Monoisotopic mass
460.246103506
InChI
InChI=1S/C26H36O7/c1-18(2)14-15-20-26(4,33-20)24-23(31-5)19(16-17-25(24,3)30)32-22(29)13-11-9-7-6-8-10-12-21(27)28/h6-14,19-20,23-24,30H,15-17H2,1-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t19-,20+,23+,24?,25-,26-/m0/s1
InChI Key
InChIKey=XXVWUXWNPOXVQB-GJNCDYHDSA-N
IUPAC Name
(2E,4E,6E,8E)-10-{[(1S,2S,4S)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid
Traditional IUPAC Name
(2E,4E,6E,8E)-10-{[(1S,2S,4S)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid
SMILES
CO[C@@H]1[C@H](CC[C@@](O)(C)C1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
Độ tan chảy
190-192
Độ hòa tan
6.73e-03 g/l
logP
3.93
logS
-4.8
pKa (strongest acidic)
4.88
pKa (Strongest Basic)
-3
PSA
105.59 Å2
Refractivity
130.34 m3·mol-1
Polarizability
51.18 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty : Sanofi
    Sản phẩm biệt dược : Flisint
  • Công ty : Upjohn
    Sản phẩm biệt dược : Fugillin
  • Công ty : Abbott
    Sản phẩm biệt dược : Furnidil
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02640
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936444
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505331
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C09668
Wikipedia
http://en.wikipedia.org/wiki/Fumagillin
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