Basic information
- CAS
106132-93-8- Standard SMILES
CC(C)CC(CCNC(C)C)(C(N)=O)c1ccccn1- InChIKey
LOOAPMDVMHIKDJ-UHFFFAOYSA-N- Molecular formula
- C16H27N3O
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.21541249
Overview
metabolite of penticainide; structure given in first source
Names & identifiers
- Preferred name
- CM 40534
- IUPAC
- 4-methyl-2-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylpentanamide
- English name
- N-Desisopropyl Pentisomide
- Molecular formula
- C16H27N3O
- Molecular weight
- 277.409
Names & synonyms
106132-93-8N-DesisopropylpentisomideCM 40534CM-40534RefChem:127154N-Desisopropyl Pentisomide4-methyl-2-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylpentanamide4-methyl-2-{2-[(propan-2-yl)amino]ethyl}-2-(pyridin-2-yl)pentanamideDTXSID60909929AKOS025394103DB-2420592-Pyridineacetamide, alpha-(2-((1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-
Show more names
α-[2-[(1-Methylethyl)amino]ethyl]-α-(2-methylpropyl)-2-pyridineacetamidea-[2-[(1-Methylethyl)amino]ethyl]-a-(2-methylpropyl)-2-pyridineacetamide2-Pyridineacetamide, α-[2-[(1-methylethyl)amino]ethyl]-α-(2-methylpropyl)-
4-Methyl-2-{2-[(propan-2-yl)amino]ethyl}-2-(pyridin-2-yl)pentanimidic acid
Database identifiers
- CAS
106132-93-8- PubChem CID
- 129207
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 448.9 · 448.9±45.0 °C(Predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- pka
- 15.88 · 15.88±0.50(Predicted)
Chemistry & industry
Applications
UsesN-Desisopropyl Pentisomide is a major metabolite of Pentisomide.
Suppliers6 total
凯试(上海)科技有限公司021-50135380 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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