Pirisudanol
Basic information
- CAS
33605-94-6- Standard SMILES
Cc1ncc(COC(=O)CCC(=O)OCCN(C)C)c(CO)c1O- InChIKey
KTOAWCPDBUCJED-UHFFFAOYSA-N- Molecular formula
- C16H24N2O6
- Average molar mass
- 340.37 g/mol
- Monoisotopic mass
- 340.16343649
Overview
Pirisudanol is a member of pyridines.
Names & identifiers
- Preferred name
- Pirisudanol
- IUPAC
- 1-O-[2-(dimethylamino)ethyl] 4-O-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] butanedioate
- English name
- pirisudanol
- Molecular formula
- C16H24N2O6
- Molecular weight
- 340.374
Names & synonyms
PirisudanolPyrisuccideanol33605-94-6PirisudanolumW618Z2SMVLDTXSID60187301pirisudanoloRefChem:929348DTXCID30109792N06BX081-(2-(Dimethylamino)ethyl) 4-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) butanedioate1-(2-(dimethylamino)ethyl) 4-(5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)methyl butanedioate
Show more names
Succinic acid 1-[2-dimethylaminoethyl]4-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl ester
251-591-9Pirisudanol [INN]Pirisudanol (INN)1-O-[2-(dimethylamino)ethyl] 4-O-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl] butanedioateUNII-W618Z2SMVLPirisudanolum [INN-Latin]EINECS 251-591-9PYRISUCCIDEANOL [MI]
Database identifiers
- CAS
33605-94-6- PubChem CID
- 65782
- DTXSID
DTXSID60187301- ChEMBL
CHEMBL2104859- ChEBI
CHEBI:135442- UNII
- W618Z2SMVL
- EC Number
- 251-591-9
- Nikkaji
- J20.395E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- FDA UNII
- 618 Z2SMVL · W618Z2SMVL
- ATC code
- 6 BX08 · N06BX08
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Additional notes
DefinitionChEBI: Pirisudanol is a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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