Basic information
- CAS
170856-57-2- Standard SMILES
CCOc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1- InChIKey
VNSBZWKWQFCKGO-UHFFFAOYSA-N- Molecular formula
- C20H27N3O
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.21541248
Overview
U-99363E is the butenedioate salt; structure in first source
Names & identifiers
- Preferred name
- U 99363
- IUPAC
- N-(1-benzylpiperidin-4-yl)-3-ethoxy-N-methylpyridin-2-amine
- English name
- U 101958
- Molecular formula
- C21H29N3O
- Molecular weight
- 339.47446
Names & synonyms
179556-82-2U 99363U 99363EU-99363DTXSID40170832RefChem:192837DTXCID70933233-Ethoxy-N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyridinylamineN-(1-benzylpiperidin-4-yl)-3-ethoxy-N-methylpyridin-2-amineU-99363E2-Pyridinamine, 3-ethoxy-N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-MC35M6U7NM
Show more names
U 101958
orb1739217SCHEMBL7397879VNSBZWKWQFCKGO-UHFFFAOYSA-NN-(1-Benzyl-4-piperidinyl)-3-ethoxy-N-methyl-2-pyridinamine1-Benzyl-4-[N-methyl-N-(3-ethoxy-2-pyridinyl)amino]piperidineN-(1-benzylpiperidin-4-yl)-N-(3-ethoxypyridin-2-yl)-methylamine3-Ethoxy-N-methyl-N-(1-(phenylmethyl)piperidin-4-yl)pyridin-2-amine2-Pyridinamine, N-methyl-3-(1-methylethoxy)-N-[1-(phenylmethyl)-4-piperidinyl]-
Database identifiers
- CAS
170856-57-2、179556-82-2- PubChem CID
- 133107
- DTXSID
DTXSID40170832- UNII
- MC35M6U7NM
- Nikkaji
- J829.151I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Applications
DescriptionU 101958 is a putative antipsychotic agent It is also a highly selective dopamine D4 receptor antagonist.
UsesU 101958 is full Dopamine D4 receptor agonist, with a pEC50 of 8.7 in HEK293/D4 cells [1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
7 records
Compound notes
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