Tìm theo
Chlorhexadol
Các tên gọi khác (9 ) :
  • 2-methyl-4-(2,2,2-trichloro-1-hydroxy-ethoxy)pentan-2-ol
  • 2-Methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)-2-pentanol
  • 2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol
  • 2-Pentanol
  • Cloralodol
  • Lora
  • Mecoral
  • Medodorm
  • Merchloral
Thuốc Gốc
Small Molecule
CAS: 3563-58-4
ATC: N05CC02
CTHH: C8H15Cl3O3
PTK: 265.562
Chlorhexadol is a sedative and hypnotic which is regulated in the United States as a Schedule III controlled substance. It is a derivative of chloral hydrate.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15Cl3O3
Phân tử khối
265.562
Monoisotopic mass
264.008677467
InChI
InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3
InChI Key
InChIKey=QVFWZNCVPCJQOP-UHFFFAOYSA-N
IUPAC Name
2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol
Traditional IUPAC Name
chloralodol
SMILES
CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl
Độ tan chảy
103 °C
Độ sôi
304.7°Cat760mmHg
Độ hòa tan
1.24e+00 g/l
logP
1.82
logS
-2.3
pKa (strongest acidic)
9.67
pKa (Strongest Basic)
-2.7
PSA
49.69 Å2
Refractivity
58.63 m3·mol-1
Polarizability
24.4 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Chloral hydrate has sedative/hypnotic activity which has been shown to extend the sleep of normal made adults via a dose-response relationship. [1]
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01534
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=19094
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508125
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D07325
ChemSpider
http://www.chemspider.com/Chemical-Structure.18027.html
Wikipedia
http://en.wikipedia.org/wiki/Chloralodol
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