Marvin  09120712482D          
 
 31 32  0  0  1  0            999 V2000
   -0.2169    0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5678    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5678   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2822   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    2.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5691    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7112   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5691    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  6  0  0  0
  2  1  1  0  0  0  0
  2  8  1  6  0  0  0
  3  2  1  0  0  0  0
  3  6  1  1  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5 10  1  6  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 30 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 22  1  6  0  0  0
 29 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
> <ID>
CHEBI:6384

> <NAME>
latanoprost

> <DEFINITION>
A prostaglandin F? that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension.

> <STAR>
3

> <SYNONYM>
Xalatan; propan-2-yl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate; PhXA 41; isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R)-3-hydroxy-5-phenylpentyl)cyclopentyl)-5-heptenoate

> <IUPAC_NAME>
isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinorprost-5-en-1-oate

> <INN>
latanoprostum; latanoprost; latanoprost; latanoprost

> <FORMULA>
C26H40O5

> <MASS>
432.59280

> <MONOISOTOPIC_MASS>
432.28757

> <CHARGE>
0

> <SMILES>
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1

> <INCHI>
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

> <INCHIKEY>
GGXICVAJURFBLW-CEYXHVGTSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5912370

> <CAS_REGISTRY_NUMBER>
130209-82-4

> <REAXYS_REGISTRY_NUMBER>
5912370

> <CHEMIDPLUS>
130209-82-4

> <DRUGBANK_ACCESSION>
DB00654

> <KEGG_DRUG_ACCESSION>
D00356

> <WIKIPEDIA_ACCESSION>
Latanoprost

> <PUBMED_CITATION>
21278589; 21858678; 22040280; 22049909; 22167538; 22167539; 22275814; 22275828; 22283238; 22289195; 22289196; 22320418; 22323882

$$$$