Tìm theo
Diprenorphine
Thuốc Gốc
Small Molecule
CAS: 14357-78-9
CTHH: C26H35NO4
PTK: 425.5604
A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H35NO4
Phân tử khối
425.5604
Monoisotopic mass
425.256608613
InChI
InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
InChI Key
InChIKey=OIJXLIIMXHRJJH-USQHPYHMSA-N
IUPAC Name
(1S,2R,6S)-3-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol
Traditional IUPAC Name
(1S,2R,6S)-3-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol
SMILES
[H][C@]12CC3=C4C(OC5[C@@]4(CCN1CC1CC1)[C@@]21CCC5(OC)C(C1)C(C)(C)O)=C(O)C=C3
Độ hòa tan
1.04e-01 g/l
logP
2.28
logS
-3.6
pKa (strongest acidic)
7.5
pKa (Strongest Basic)
12.54
PSA
62.16 Å2
Refractivity
118.37 m3·mol-1
Polarizability
47.44 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
7
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem] Diprenorphine binds approximately equally to the three subtypes of opioid receptorsand antagonizes them.
Chỉ Định : Diprenorphine is used to reverse the effects of the super-potent opioid analgesics such as etorphine and carfentanil that are used for tranquilizing large animals in veterinary medicine. Not used in humans.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01548
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=26644
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506559
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11794
ChemSpider
http://www.chemspider.com/Chemical-Structure.24820.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21865
Wikipedia
http://en.wikipedia.org/wiki/Diprenorphine
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