Tìm theo
Cyclopentamine
Thuốc Gốc
Small Molecule
CAS: 102-45-4
CTHH: C21H28O2
PTK: 312.4458
Cyclopentamine is a sympathomimetic alkylamine, classified as a vasoconstrictor. Cyclopentamine was indicated in the past as an over-the-counter medication for use as a nasal decongestant, notably in Europe and Australia, but has now been largely discontinued possibly due to the availability, effectiveness, and safety of a structurally similar drug, propylhexedrine.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H28O2
Phân tử khối
312.4458
Monoisotopic mass
312.20893014
InChI
InChI=1/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/s2
InChI Key
InChIKey=JWAHBTQSSMYISL-BSIUWKHINA-N
IUPAC Name
(10S,11S,14S,15S)-14-acetyl-14,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6-dien-5-one
Traditional IUPAC Name
demegestone
SMILES
[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H]
Độ tan chảy
113-115
Độ hòa tan
1.11e-02 g/l
logP
3.96
logS
-4.5
pKa (strongest acidic)
18.86
pKa (Strongest Basic)
-4.7
PSA
34.14 Å2
Refractivity
93.31 m3·mol-1
Polarizability
36.59 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08999
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D07370
Wikipedia
http://en.wikipedia.org/wiki/Cyclopentamine
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