2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole
Basic information
- CAS
108499-48-5- Standard SMILES
CCNc1ccccc1CS(=O)c1nc2cc(OC)c(OC)cc2[nH]1- InChIKey
YAMSJFSCDATXNU-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13036271
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole
- IUPAC
- 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N-ethylaniline
- English name
- S 3337
- Molecular formula
- C18H21N3O3S
- Molecular weight
- 359.44
Names & synonyms
108499-48-52-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazoleRefChem:84050s33372-(2-ETHYLAMINOBENZYLSULFINYL)-5,6-DIMETHOXYBENZO[D]IMIDAZOLE2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N-ethylanilineS 3337orb1708599SCHEMBL3699412DTXSID70910748HY-U00222AKOS040737320
Show more names
S3337,S-33372-[[(5,6-Dimethoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-N-ethylanilineBenzenamine, 2-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-N-ethyl-
CS-7367DA-77626T128222-[(5,6-Dimethoxy-1H-1,3-benzimidazole-2-sulfinyl)methyl]-N-ethylaniline2-[(5,6-Dimethoxy-1H-benzimidazole-2-sulfinyl)methyl]-N-ethylaniline2-(((5,6-Dimethoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-N-ethylanilineBenzenamine, 2-(((5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-N-ethyl-
Database identifiers
- CAS
108499-48-5- PubChem CID
- 130147
- DTXSID
DTXSID70910748- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 620.9 · 620.9±65.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 7.88 · 7.88±0.10(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX.
Applications
UsesS3337 is an H+, K+-ATPase inhibitor.
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Related reactions
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Compound notes
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