Tafluprost
Properties
- Molecular formula
- C25H34F2O5
- Molar mass
- 452.54 g/mol
- Exact mass
- 452.2374 Da
- Melting point
- 87.5 °C
- Boiling point
- 100 °C
- logP
- 4.68Crippen estimate
- Polar surface area
- 76.0 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 12
- Stereocentres
- R, R, R, Sin SMILES atom order
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H302 Harmful if swallowed96.2% of notifiers
- H319 Causes serious eye irritation96.2% of notifiers
- H360 May damage fertility or the unborn child75% of notifiers
- H370 Causes damage to organs71.2% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure73.1% of notifiers
- H413 May cause long lasting harmful effects to aquatic life71.2% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P308+P316, P318, P319, P321, P330, P337+P317, P405, P501
Identifiers
CAS number
209860-87-7SMILES
CC(C)OC(=O)CCC/C=CC[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1OInChIKey
WSNODXPBBALQOF-VEJSHDCNSA-NInChI
InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
- 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
- AFP 168
- MK 2452
- Tapros
- Taflotan
- Saflutan
- Ziotan
Work with Tafluprost
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tafluprost acid209860-88-875 % similar
17-Phenyl trinor pgf2alpha-ipr130209-76-664 % similar
Travoprost157283-68-663 % similar
Isopropyl cloprostenate157283-66-462 % similar
Latanoprost130209-82-455 % similar
Isopropyl unoprostone120373-24-246 % similar
(3aR,4R,5R,6aS)-4-((E)-3,3-Difluoro-4-phenoxybut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate209861-00-746 % similar
Cloprostenol40665-92-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.