Roxatidine

C₁₇H₂₆N₂O₃CAS 78273-80-0306.41 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₁₇H₂₆N₂O₃
Molar mass: 306.41 g/mol
Exact mass: 306.1943 Da
Melting point: 59–60 °C
logP: 2.39Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8

Identifiers

CAS number

78273-80-0

SMILES

OCC(O)=NCCCOc1cccc(CN2CCCCC2)c1

InChIKey

BCCREUFCSIMJFS-UHFFFAOYSA-N

InChI

InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)

Weigh it out

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

Names and synonyms

2 names

Acetamide, 2-hydroxy-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-
2-Hydroxy-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide

Work with Roxatidine

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

Roxatidine acetate78628-28-169 % similar Roxatidine acetate hydrochloride93793-83-066 % similar 1-Benzylpiperidine2905-56-835 % similar Aripiprazole129722-12-935 % similar Lafutidine118288-08-734 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-933 % similar 2-Bromo-4-(1-piperidinylmethyl)pyridine88046-02-032 % similar 1H-Isoindole-1,3(2H)-dione, 2-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1)146447-26-932 % similar

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

Elsewhere

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