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Description

Desmethyl rabeprazole thioether · CAS 117976-91-7 · C17H19N3O2S. UNII 60DBG5I1US.

Identification

CAS Registry Number	117976-91-7
PubChem CID	15166260
Molecular formula	C17H19N3O2S
IUPAC name	3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridinyl]oxy]propan-1-ol
UNII (FDA)	60DBG5I1US

Computed Descriptors

Molecular Weight	329.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	329.11979803
Monoisotopic Mass	329.11979803
Topological Polar Surface Area	96.3
Heavy Atom Count	23
Formal Charge	0

Physical description & handling notes

• 173.44 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Documented Uses

• Desmethylrabeprazole-thioether is a known human metabolite of Rabeprazole (rabeprazole_thioether).

Synonyms

117976-91-7; Desmethyl rabeprazole thioether; 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-; Rabeprazole Impurity 34; 60DBG5I1US; 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol; 3-((2-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)-3-methylpyridin-4-yl)oxy)propan-1-ol; 1-Propanol, 3-((2-((1H-benzimidazol-2-ylthio)methyl)-3-methyl-4-pyridinyl)oxy)-; UNII-60DBG5I1US; Rabeprazole Impurity 7; RABEPRAZOLE_met020; Desmethyl rabeprazolethioether; SCHEMBL600640; DTXSID30569438; WKTPBAPTLLDMKZ-UHFFFAOYSA-N; 2-[{4-(3-Hydroxypropoxy)-3-methylpyridine-2-yl}methylthio]-1H-benzimidazole

Frequently Asked Questions

What are the CAS number and molecular formula of Desmethyl rabeprazole thioether?

CAS 117976-91-7; molecular formula C17H19N3O2S; molecular weight — g/mol.

What other names is Desmethyl rabeprazole thioether known by?

117976-91-7, Desmethyl rabeprazole thioether, 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-, Rabeprazole Impurity 34, 60DBG5I1US, 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.