Ecabapide
Basic information
- CAS
104775-36-2- Standard SMILES
CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1- InChIKey
JTAGHJPZEDNHHA-UHFFFAOYSA-N- Molecular formula
- C20H25N3O4
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.18450629
Overview
Ecabapide is a small molecule drug. Ecabapide has a monoisotopic molecular weight of 371.18 Da.
Names & identifiers
- Preferred name
- Ecabapide
- IUPAC
- 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-N-methylbenzamide
- English name
- Ecabapide
- Molecular formula
- C20H25N3O4
- Molecular weight
- 371.435
Names & synonyms
Ecabapide104775-36-2ecabapidaDQ-25114KA5WHL8T2Benzamide, 3-((2-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-oxoethyl)amino)-N-methyl-DTXSID80146718ecabapidumRefChem:136196DTXCID50692093-2-2-(3,4-dimethoxyphenyl)ethylamino-2-oxoethylamino-N-methylbenzamideEcabapide [INN]
Show more names
3-(2-(3,4-dimethoxyphenethylamino)-2-oxoethylamino)-N-methylbenzamide3-[[2-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylbenzamideBenzamide, 3-[[2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]amino]-N-methyl-
Muralis3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-N-methylbenzamideDQ 25113-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)amino]-N-methylbenzamide3-((2-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-2-oxoethyl)amino)-N-methylbenzamideEcabamidem-((((3,4-Dimethoxyphenethyl)carbamoyl)methyl)amino)-N-methylbenzamideCCRIS 7698
Database identifiers
- CAS
104775-36-2- PubChem CID
- 65885
- DTXSID
DTXSID80146718- ChEMBL
CHEMBL2104348- UNII
- 4KA5WHL8T2
- Nikkaji
- J228.146E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Melting point
- 93 · 93-96.5°; mp 133-134.5°
- Boiling point
- 658.6 · 658.6±55.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.46(Predicted)
- FDA UNII
- 4 KA5WHL8T2 · 4KA5WHL8T2
Chemistry & industry
Pharmacology
Metabolism/MetabolitesEcabapide has known human metabolites that include 5-amino-2-hydroxy-N-methylbenzamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide, and 6-hydroxy-ecabapide.
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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