Isoxsuprine

Thuốc Gốc

Small Molecule

CAS: 395-28-8

CTHH: C₁₈H₂₃NO₃

PTK: 301.3801

A beta-adrenergic agonist that causes direct relaxation of uterine and vascular smooth muscle. Its vasodilating actions are greater on the arteries supplying skeletal muscle than on those supplying skin. It is used in the treatment of peripheral vascular disease and in premature labor.

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₁₈H₂₃NO₃

Phân tử khối

301.3801

Monoisotopic mass

301.167793607

InChI

InChI=1/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3

InChI Key

InChIKey=BMUKKTUHUDJSNZ-UHFFFAOYNA-N

IUPAC Name

4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol

Traditional IUPAC Name

isoxsuprine

SMILES

CC(COC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1

Độ hòa tan

5.07e-02 g/l

logP

2.56

logS

-3.8

pKa (strongest acidic)

9.65

pKa (Strongest Basic)

PSA

61.72 Å²

Refractivity

86.64 m³·mol^-1

Polarizability

33.32 Å³

Rotatable Bond Count

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

Number of Rings

Bioavailability

Rule of Five

true

Ghose Filter

true

Tài Liệu Tham Khảo Thêm

drugbank

http://www.drugbank.ca/drugs/DB08941

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