chempirical

Cloperastine fendizoate

C40H38ClNO5CAS 85187-37-7648.20 g/mol

Open in Covalent MOL file
ClONOHOOHO
Aryl halideCarboxylic acidEtherKetonePhenolTertiary amine

Properties

Molecular formula
C40H38ClNO5
Molar mass
648.20 g/mol
Exact mass
647.2439 Da
logP
8.92Crippen estimate
Polar surface area
87.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Identifiers

CAS number
85187-37-7
SMILES
Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1.O=C(O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1
InChIKey
PXZFKAKWSHBDCP-UHFFFAOYSA-N
InChI
InChI=1S/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2-[(6-hydroxy[1,1′-biphenyl]-3-yl)carbonyl]-, compd. with 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]piperidine (1:1)
  • Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-, 2-[(6-hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoate

Work with Cloperastine fendizoate

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

2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid84627-04-357 % similar Cloperastine3703-76-252 % similar Cloperastine hydrochloride14984-68-050 % similar 2-(4-Chlorobenzoyl)benzoic acid85-56-346 % similar Hydroxyzine pamoate10246-75-038 % similar Benzophenone 785-19-837 % similar 2-(3-Amino-4-chlorobenzoyl)benzoic acid118-04-736 % similar 2-Benzoylbenzoic acid85-52-936 % similar

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

Elsewhere

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