chempirical

Rabeprazole sodium

C18H21N3NaO3SCAS 117976-90-6382.43 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
OONSONNHNa
EtherSulfoxide

Properties

Molecular formula
C18H21N3NaO3S
Molar mass
382.43 g/mol
Exact mass
382.1201 Da
Melting point
140–141 °C (decomposes)
logP
2.61Crippen estimate
Polar surface area
77.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8

Identifiers

CAS number
117976-90-6
SMILES
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.[Na]
InChIKey
MLQSMKIAIQJZSZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);

Weigh it out

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

Names and synonyms

11 names
  • 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1)
  • 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt
  • E 3810
  • LY 307640 sodium
  • Pariprazole
  • Pariet
  • Aciphex
  • 2-[[[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole sodium salt
  • Rabicip
  • Pepcia
  • Razo

Work with Rabeprazole sodium

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

Rabeprazole117976-89-395 % similar Lansoprazole103577-45-367 % similar (+)-Lansoprazole138530-94-667 % similar Rabeprazole-thioether117977-21-664 % similar Ilaprazole172152-36-253 % similar 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-548 % similar 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-348 % similar 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook