Bilastine

C28H37N3O3CAS 202189-78-4463.62 g/mol

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ONNOOHN
Carboxylic acidEtherTertiary amine

Properties

Molecular formula
C28H37N3O3
Molar mass
463.62 g/mol
Exact mass
463.2835 Da
logP
4.86Crippen estimate
Polar surface area
67.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
202189-78-4
SMILES
CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21
InChIKey
ACCMWZWAEFYUGZ-UHFFFAOYSA-N
InChI
InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)

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Names and synonyms

3 names
  • Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethyl-
  • 4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethylbenzeneacetic acid
  • 2-[-4-(2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl)phenyl]-2-methylpropanoic acid

Work with Bilastine

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

1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole110963-63-851 % similar Emedastine difumarate87233-62-340 % similar Emedastine87233-61-238 % similar Fexofenadine83799-24-037 % similar 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-037 % similar 4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic acid552301-45-836 % similar Fexofenadine hydrochloride153439-40-836 % similar 2-Methyl-2-phenylpropanoic acid826-55-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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