Rabeprazole sodium

C18H20N3NaO3SCAS 117976-90-6381.43 g/mol

Open in Covalent MOL file
NSONN−OONa+
EtherSulfoxide

Properties

Molecular formula
C18H20N3NaO3S
Molar mass
381.43 g/mol
Exact mass
381.1123 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
117976-90-6
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
InChIKey
KRCQSTCYZUOBHN-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N3O3S.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;/q-1;+1

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rabeprazole117976-89-3Parent compound

Similar compounds

Rabeprazole-thioether117977-21-650 % 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 Esomeprazole sodium161796-78-745 % similar 2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride675198-19-345 % similar Omeprazole sodium95510-70-645 % similar Lansoprazole103577-45-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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