Basic information
- CAS
106707-51-1- Standard SMILES
CCCCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2OCCO2)CC1- InChIKey
BTBFXLRQGPHRGT-UHFFFAOYSA-N- Molecular formula
- C20H30ClN3O4
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.1924841
Overview
Dobupride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Dobupride is a sulpiride derivative and analogue. Dobupride has a monoisotopic molecular weight of 411.19 Da.
Names & identifiers
- Preferred name
- Dobupride
- IUPAC
- 4-amino-2-butoxy-5-chloro-N-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]benzamide
- English name
- Dobupride
- Molecular formula
- C20H30ClN3O4
- Molecular weight
- 411.927
Names & synonyms
Dobupride106707-51-1DobupridaDobupridumFW0Z2U7O23DTXSID501477374-amino-2-butoxy-5-chloro-N-(1-(1,3-dioxolan-2-ylmethyl)piperid-4-yl)benzamideRefChem:135344DTXCID1070228Dobupride [INN]4-amino-2-butoxy-5-chloro-N-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]benzamideDobupridum [Latin]
Show more names
Benzamide, 4-amino-2-butoxy-5-chloro-N-[1-(1,3-dioxolan-2-ylmethyl)-4-piperidinyl]-
4-Amino-2-butoxy-5-chloro-N-(1-(1,3-dioxolan-2-ylmethyl)-4-piperidyl)benzamideDobuprida [Spanish]UNII-FW0Z2U7O23orb1707981SCHEMBL1229825CHEMBL2105572HY-U00071AKOS040740772
Database identifiers
- CAS
106707-51-1- PubChem CID
- 65896
- DTXSID
DTXSID50147737- ChEMBL
CHEMBL2105572- UNII
- FW0Z2U7O23
- Nikkaji
- J690.451C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 0 Z2U7O23 · FW0Z2U7O23
Chemistry & industry
Applications
UsesDobupride is a novel gastroprokinetic agent.
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
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]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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