Tìm theo
Betacetylmethadol
Thuốc Gốc
Small Molecule
CAS: 17199-59-6
CTHH: C23H31NO2
PTK: 353.4977
A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H31NO2
Phân tử khối
353.4977
Monoisotopic mass
353.235479241
InChI
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1
InChI Key
InChIKey=XBMIVRRWGCYBTQ-GCJKJVERSA-N
IUPAC Name
(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
Traditional IUPAC Name
betacetylmethadol
SMILES
CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Độ hòa tan
1.79e-03 g/l
logP
4.88
logS
-5.3
pKa (Strongest Basic)
9.87
PSA
29.54 Å2
Refractivity
117.86 m3·mol-1
Polarizability
40.93 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01522
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=62710
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508290
ChemSpider
http://www.chemspider.com/Chemical-Structure.56457.html
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