Tìm theo
Gestodene
Các tên gọi khác (6 ) :
  • Gestoden
  • Gestodene
  • Gestodeno
  • Gestodenum
  • SH b 331
  • SID144205785
contraceptives oral synthetic, progestins
Thuốc Gốc
Small Molecule
CAS: 60282-87-3
ATC: G03AA10
CTHH: C21H26O2
PTK: 310.4299
Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H26O2
Phân tử khối
310.4299
Monoisotopic mass
310.193280076
InChI
InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChI Key
InChIKey=SIGSPDASOTUPFS-XUDSTZEESA-N
IUPAC Name
(1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,12-dien-5-one
Traditional IUPAC Name
gestodene
SMILES
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
Độ tan chảy
197.9 °C
Độ hòa tan
5.81e-03 g/l
logP
3.46
logS
-4.7
pKa (strongest acidic)
17.08
pKa (Strongest Basic)
-1.9
PSA
37.3 Å2
Refractivity
92.99 m3·mol-1
Polarizability
35.94 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Động Học :
▧ Absorption :
in vitro 99% using 3H=R5020 / in vivo similar to progesterone
▧ Half Life :
16 to 18 hrs.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06730
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3033968
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443276
ChemSpider
http://www.chemspider.com/Chemical-Structure.2298532.html
PharmGKB
http://www.pharmgkb.org/drug/PA165958397
Wikipedia
http://en.wikipedia.org/wiki/Gestodene
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