Tìm theo
vapitadine dihydrochloride
Thuốc Gốc
Small Molecule
CAS: 279253-83-7
CTHH: C17H22Cl2N4O
PTK: 369.289
Vapitadine dihydrochloride is an antihistamine that Barrier Therapeutics is developing as a treatment for allergic reactions of the skin, such as those associated with hives and for the itch associated with atopic dermatitis. An advantage of vapitadine dihydrochloride over other antihistamines may be the absence of the sedation, even at high doses.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H22Cl2N4O
Phân tử khối
369.289
Monoisotopic mass
368.11706676
InChI
InChI=1S/C17H20N4O.2ClH/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16;;/h1-4,11,19H,5-10H2,(H2,18,22);2*1H
InChI Key
InChIKey=BOYLPLUVCXUHDJ-UHFFFAOYSA-N
IUPAC Name
4',7'-diazaspiro[piperidine-4,2'-tricyclo[8.4.0.0^{3,7}]tetradecane]-1'(10'),3',5',11',13'-pentaene-6'-carboxamide dihydrochloride
Traditional IUPAC Name
4',7'-diazaspiro[piperidine-4,2'-tricyclo[8.4.0.0^{3,7}]tetradecane]-1'(10'),3',5',11',13'-pentaene-6'-carboxamide dihydrochloride
SMILES
Cl.Cl.NC(=O)C1=CN=C2N1CCC1=CC=CC=C1C21CCNCC1
logP
0.81
pKa (strongest acidic)
14.11
pKa (Strongest Basic)
9.98
PSA
72.94 Å2
Refractivity
96.14 m3·mol-1
Polarizability
32.39 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Chỉ Định : Investigated for use/treatment in atopic dermatitis.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Hivenyl
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05738
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9842251
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=47208313
ChemSpider
http://www.chemspider.com/Chemical-Structure.8017966.html
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