PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE
Thuốc Gốc
Small Molecule
CTHH: C25H34O6
PTK: 430.5339
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
430.5339
Monoisotopic mass
430.23553882
InChI
InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1
InChI Key
InChIKey=JBBNFGYRYNBDIH-DBGGZKJISA-N
IUPAC Name
4-{[(1S,2R,10S,11S,14S,15S,17R)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-17-yl]oxy}-4-oxobutanoic acid
Traditional IUPAC Name
4-{[(1S,2R,10S,11S,14S,15S,17R)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-17-yl]oxy}-4-oxobutanoic acid
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]12C)OC(=O)CCC(O)=O)C(C)=O
Độ hòa tan
8.50e-03 g/l
logP
3.11
logS
-4.7
pKa (strongest acidic)
4.22
pKa (Strongest Basic)
-4.8
PSA
97.74 Å2
Refractivity
114.34 m3·mol-1
Polarizability
46.94 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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