Basic information
- CAS
117-30-6- Standard SMILES
O=C(OCCN1CCCCC1)C(c1ccccc1)N1CCCCC1- InChIKey
CGYQGGSMYNXXIV-UHFFFAOYSA-N- Molecular formula
- C20H30N2O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.2307282
Overview
Dipiproverine is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- Dipiproverine
- IUPAC
- 2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-ylacetate
- English name
- Dipiproverine
- Molecular formula
- C20H30N2O2
- Molecular weight
- 330.469
Names & synonyms
Dipiproverine117-30-6Dipiproverine [INN]2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-ylacetate4XV7PTW3FZ1-Piperidineacetic acid, alpha-phenyl-, 2-piperidinoethyl esterDipiproverinDipiproverinumUNII-4XV7PTW3FZDipiproverinaalpha-Phenyl-1-piperidineacetic acid 2-(1-piperidinyl)ethyl esterPiperidinoethyl alpha-piperidinophenylacetate
Show more names
α-Phenyl-1-piperidineacetic acid 2-(1-piperidinyl)ethylα-Phenyl-1-piperidineacetic acid 2-(1-piperidinyl)ethyl ester1-Piperidineacetic acid, α-phenyl-, 2-(1-piperidinyl)ethyl ester
2-Piperidinoethyl alpha-phenylpiperidinacetatDIPIPROVERINE [MI]SCHEMBL250678orb1702333CHEMBL21108991-Piperidine-ethanol alpha-phenyl-1-piperidineacetate esterDTXSID30861747CHEBI:135411
Database identifiers
- CAS
117-30-6- PubChem CID
- 72072
- DTXSID
DTXSID30861747- ChEMBL
CHEMBL2110899- ChEBI
CHEBI:135411- UNII
- 4XV7PTW3FZ
- Nikkaji
- J5.287F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 1 · bp1 188-190°
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.10(Predicted)
- FDA UNII
- 4 XV7PTW3FZ · 4XV7PTW3FZ
Chemistry & industry
Applications
UsesDipiproverine (LD-935 free base) is an alpha-amino acid ester, an antispasmodic compound, which is used as an anticholinergic agent[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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]
Additional notes
DefinitionChEBI: Dipiproverine is an alpha-amino acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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