Latanoprost Methyl Ester - CAS 913258-31-8

Catalog:	BB058868
Product Name:	Latanoprost Methyl Ester
CAS:	913258-31-8
Synonyms:	Methyl (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

Technical Data

IUPAC Name:	methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
Description:	Latanoprost Methyl Ester is an impurity of trans-Latanoprost (L177300), which is a Prostaglandin analog; prodrug of active acid metabolite. It is a synthetic derivative of the natural prostaglandin PGF2α, used as an anti-glaucoma agent that is effective in various types of glaucoma and ocular hypertension. Latanoprost USP Related Compound A.Lantanoprost Methyl Ester can be used for combination therapy for glaucoma.
Molecular Weight:	404.54
Molecular Formula:	C24H36O5
Canonical SMILES:	COC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O
InChI:	InChI=1S/C24H36O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,19-23,25-27H,3,8,11-17H2,1H3/b7-2-/t19-,20+,21+,22-,23+/m0/s1
InChI Key:	KSRNMZVGEYUNEO-JNAAKWLTSA-N
References:	Resul, B., et al. J. Med. Chem., 36, 2242 (1993), Toris, C., et al. Ophthalmology, 100, 1297 (1993), Holmstrom, S., et al. Curr. Med. Res. Op., 21, 1875 (2005); Kopczynski, C., et.al. PCT Int. Appl., 75, (2014).

Complexity:	486
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	1
Exact Mass:	404.25627424
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	404.25627424
Rotatable Bond Count:	13
Topological Polar Surface Area:	87Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5