Tìm theo
Fotemustine
Các tên gọi khác (4 ) :
  • (+-)-Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate
  • Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate
  • Fotemustina
  • Fotemustinum
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
ATC: L01AD05
CTHH: C9H19ClN3O5P
PTK: 315.691
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H19ClN3O5P
Phân tử khối
315.691
Monoisotopic mass
315.075084952
InChI
InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChI Key
InChIKey=YAKWPXVTIGTRJH-QMMMGPOBSA-N
IUPAC Name
diethyl [(1S)-1-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}ethyl]phosphonate
Traditional IUPAC Name
diethyl (1S)-1-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}ethylphosphonate
SMILES
CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O
Độ hòa tan
4.11e+00 g/l
logP
1.28
logS
-1.9
pKa (strongest acidic)
11.06
pKa (Strongest Basic)
-5.4
PSA
97.3 Å2
Refractivity
71.42 m3·mol-1
Polarizability
29.12 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04106
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936889
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505097
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