Tìm theo
Dihydromorphine
Thuốc Gốc
Small Molecule
CAS: 509-60-4
CTHH: C17H21NO3
PTK: 287.3535
A semisynthetic analgesic used in the study of narcotic receptors. It has abuse potential. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H21NO3
Phân tử khối
287.3535
Monoisotopic mass
287.152143543
InChI
InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChI Key
InChIKey=IJVCSMSMFSCRME-KBQPJGBKSA-N
IUPAC Name
(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14-diol
Traditional IUPAC Name
dihydromorphine
SMILES
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O
Độ tan chảy
157 dec °C
Độ hòa tan
1.82e+00 g/l
logP
1.08
logS
-2.2
pKa (strongest acidic)
10.29
pKa (Strongest Basic)
9.24
PSA
52.93 Å2
Refractivity
79.16 m3·mol-1
Polarizability
30.66 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Chỉ Định : Dihydromorphine is an opioid analgesic used for moderate to severe pain relief.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01565
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5359421
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506587
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11782
ChemSpider
http://www.chemspider.com/Chemical-Structure.4514282.html
Wikipedia
http://en.wikipedia.org/wiki/Dihydromorphine
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