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82186-71-8 | 7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one; 2-hydroxypropanoic acid
CAS No: 82186-71-8 Catalog No: AG0056N5 MDL No:
Product Description
Catalog Number:
AG0056N5
Chemical Name:
7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one; 2-hydroxypropanoic acid
CAS Number:
82186-71-8
Molecular Formula:
C19H23BrClN3O6
Molecular Weight:
504.7594
IUPAC Name:
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;2-hydroxypropanoic acid
InChI:
InChI=1S/C16H17BrClN3O3.C3H6O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;1-2(4)3(5)6/h5-6,8,14-15,19,23H,1-4,7H2;2,4H,1H3,(H,5,6)/t14-,15+;/m0./s1
InChI Key:
GATQERNJKZPJNX-LDXVYITESA-N
SMILES:
OC(=O)C(O)C.O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCC[C@H]1O
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
503.046g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
504.762g/mol
Monoisotopic Mass:
503.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Efficacy of halofuginone lactate in the prevention of cryptosporidiosis in dairy calves. | The Veterinary record 20110514 |
| Effect of halofuginone lactate on treatment and prevention of lamb cryptosporidiosis: an extensive field trial. | Journal of veterinary pharmacology and therapeutics 20071201 |
| (2R,3S)-(+)- and (2S,3R)-(-)-Halofuginone lactate: synthesis, absolute configuration, and activity against Cryptosporidium parvum. | Bioorganic & medicinal chemistry letters 20070801 |
| Effect of halofuginone lactate on the occurrence of Cryptosporidium parvum and growth of neonatal dairy calves. | Journal of dairy science 20050501 |
| Efficacy of halofuginone lactate against Cryptosporidium parvum in calves. | Antimicrobial agents and chemotherapy 19910201 |
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