(15R)-Bimatoprost

C₂₅H₃₇NO₄CAS 1163135-92-9415.57 g/mol

Open in Covalent MOL file

Alcohol Alkene Amide

Properties

Molecular formula: C₂₅H₃₇NO₄
Molar mass: 415.57 g/mol
Exact mass: 415.2723 Da
logP: 3.15Crippen estimate
Polar surface area: 89.8 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 12
Stereocentres: R, S, R, R, Rin SMILES atom order
Double bonds: Z, EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H340 May cause genetic defects100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, P501

Identifiers

CAS number

1163135-92-9

SMILES

CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCC2=CC=CC=C2)O)O)O

InChIKey

AQOKCDNYWBIDND-ZPFRTTICSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide, (5Z)-

Work with (15R)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bimatoprost155206-00-1Stereoisomer

Similar compounds

17-Phenyl trinor pgf2alpha-ipr130209-76-668 % similar Prostaglandin F2551-11-153 % similar Latanoprost acid41639-83-249 % similar Dinoprost tromethamine38562-01-548 % similar Hydride-L41639-74-148 % similar Latanoprost130209-82-447 % similar Cloprostenol40665-92-746 % similar D-Cloprostenol54276-21-046 % similar

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

Same formula

Salmeterol89365-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook