Tìm theo
Alphamethadol
Thuốc Gốc
Small Molecule
CAS: 17199-54-1
CTHH: C21H29NO
PTK: 311.4611
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
311.4611
Monoisotopic mass
311.224914555
InChI
InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1
InChI Key
InChIKey=QIRAYNIFEOXSPW-YLJYHZDGSA-N
IUPAC Name
(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol
Traditional IUPAC Name
alphamethadol
SMILES
CC[[email protected]@H](O)C(C[[email protected]@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Độ hòa tan
1.28e-02 g/l
logP
4.44
logS
-4.4
pKa (strongest acidic)
14.52
pKa (Strongest Basic)
9.57
PSA
23.47 Å2
Refractivity
108.71 m3·mol-1
Polarizability
36.88 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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