Da-6886
Basic information
- CAS
1342815-16-0- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1- InChIKey
AULLTYAISZREAX-UHFFFAOYSA-N- Molecular formula
- C19H27ClN6O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1884018
Overview
DA-6886 has been used in trials studying the treatment of Irritable Bowel Syndrome.
Names & identifiers
- Preferred name
- Da-6886
- IUPAC
- 4-amino-5-chloro-2-methoxy-N-[[1-[3-(triazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
Names & synonyms
DA-6886J6388YJ4YR1342815-16-0Benzamide, 4-amino-5-chloro-2-methoxy-N-((1-(3-(1H-1,2,3-triazol-1-yl)propyl)-4-piperidinyl)methyl)-RefChem:1306984-amino-5-chloro-2-methoxy-N-((1-(3-(1H-1,2,3-triazol-1-yl)propyl)piperidin-4-yl)methyl)benzamideN-((1-(3-(1,2,3-triazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamideN-[[1-{3-(1,2,3-triazol-1-yl)propyl}piperidin-4-yl]methyl]-4-amino-5-chloro-2-methoxybenzamideDA-6886 free formUNII-J6388YJ4YRSCHEMBL726214CHEMBL3950712
Show more names
AULLTYAISZREAX-UHFFFAOYSA-NBDBM197997DB12853SB17472NS00072967US9221790, 7Q272812464-AMINO-5-CHLORO-2-METHOXY-N-((1-(3-(1H-1,2,3-TRIAZOL-1-YL)PROPYL)-4-PIPERIDINYL)METHYL)BENZAMIDE
Database identifiers
- CAS
1342815-16-0- PubChem CID
- 54575171
- ChEMBL
CHEMBL3950712- UNII
- J6388YJ4YR
- Nikkaji
- J3.584.736G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
1 records
Compound notes
Loading…