Latanoprost acid

C₂₃H₃₄O₅CAS 41639-83-2390.52 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid

Properties

Molecular formula: C₂₃H₃₄O₅
Molar mass: 390.52 g/mol
Exact mass: 390.2406 Da
logP: 3.32Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 12
Stereocentres: R, R, R, R, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H360 May damage fertility or the unborn child33.3% of notifiers
H361 Suspected of damaging fertility or the unborn child33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number

41639-83-2

SMILES

O=C(O)CCC/C=CC[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O

InChIKey

HNPFPERDNWXAGS-NFVOFSAMSA-N

InChI

InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1

Weigh it out

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

Names and synonyms

6 names

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, (5Z)-
5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-, [1R-[1α(Z),2β(R*),3α,5α]]-
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid
13,14-Dihydro-17-phenyl-18,19,20-trinor-PGF2α
PhXA 85
(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid

Work with Latanoprost acid

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

Latanoprost130209-82-470 % similar Latanoprostene bunod860005-21-661 % similar Tafluprost acid209860-88-851 % similar (3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one145667-75-050 % similar (15R)-Bimatoprost1163135-92-949 % similar 17-Phenyl trinor pgf2alpha-ipr130209-76-649 % similar Bimatoprost155206-00-147 % similar Prostaglandin F2551-11-146 % similar

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

Same formula

Tussilagone104012-37-5 Digoxigenin1672-46-4 Periplogenin514-39-6 Mevastatin73573-88-3 Treprostinil81846-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook