chempirical

Bimatoprost

C25H37NO4CAS 155206-00-1415.57 g/mol

Open in Covalent MOL file
HNOHOHOOH
AlcoholAlkene

Properties

Molecular formula
C25H37NO4
Molar mass
415.57 g/mol
Exact mass
415.2723 Da
Melting point
67–68 °C
logP
3.99Crippen estimate
Polar surface area
93.3 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
12
Stereocentres
R, R, S, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
155206-00-1
SMILES
CCN=C(O)CCC/C=CC[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey
AQOKCDNYWBIDND-FTOWTWDKSA-N
InChI
InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-, (5Z)-
  • 5-Heptenamide, 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl]-N-ethyl-, [1R-[1α(Z),2β(1E,3S*),3α,5α]]-
  • 5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]cyclopentyl]-N-ethyl-, (5Z)-
  • (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide
  • AGN 192024
  • Lumigan
  • Prostamide
  • Latisse
  • 17-Phenyltrinor-PGF2α ethylamide

Work with Bimatoprost

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

17-Phenyl trinor pgf2alpha-ipr130209-76-664 % similar Prostaglandin F2551-11-151 % similar Latanoprost acid41639-83-247 % similar Dinoprost tromethamine38562-01-545 % similar Cloprostenol40665-92-744 % similar D-Cloprostenol54276-21-044 % similar Latanoprost130209-82-444 % similar Cloprostenol sodium salt55028-72-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(15R)-Bimatoprost1163135-92-9 Salmeterol89365-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook