chempirical

Roxatidine acetate hydrochloride

C19H29ClN2O4CAS 93793-83-0384.90 g/mol

Open in Covalent MOL file
OOOHNONHCl
EsterEtherTertiary amine

Properties

Molecular formula
C19H29ClN2O4
Molar mass
384.90 g/mol
Exact mass
384.1816 Da
Melting point
145–146 °C
logP
3.38Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
9

Identifiers

CAS number
93793-83-0
SMILES
CC(=O)OCC(O)=NCCCOc1cccc(CN2CCCCC2)c1.Cl
InChIKey
FEWCTJHCXOHWNL-UHFFFAOYSA-N
InChI
InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H

Weigh it out

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

Names and synonyms

9 names
  • Acetamide, 2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-, hydrochloride (1:1)
  • Acetamide, 2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-, monohydrochloride
  • TZU 0460
  • HOE 760
  • Altat
  • Neo H2
  • Roxit
  • Gastralgin
  • Zarocs

Work with Roxatidine acetate hydrochloride

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 acetate78628-28-195 % similar Roxatidine78273-80-066 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-935 % similar Ethylene glycol phenyl ether acetate6192-44-534 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-133 % similar Dyclonine536-43-633 % similar Lafutidine118288-08-733 % 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)146447-26-933 % similar

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

Elsewhere

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