Basic information
- CAS
73220-00-5- Standard SMILES
CCN1CCC[C@@H]1CNC(=O)c1c(OC)c(Br)cc(Br)c1OC- InChIKey
JCBGKPTVKBFSNZ-SNVBAGLBSA-N- Molecular formula
- C16H22Br2N2O3
- Average molar mass
- 450.2 g/mol
- Monoisotopic mass
- 447.99972
Names & identifiers
- Preferred name
- Benzamide, 3,5-dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, (R)-(+)-
- IUPAC
- 3,5-dibromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
- English name
- AMbroxol CycloiMine IMpurity
- Molecular formula
- C16H22Br2N2O3
- Molecular weight
- 450.17
Names & synonyms
73220-00-5BENZAMIDE, 3,5-DIBROMO-2,6-DIMETHOXY-N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-, (R)-(+)-(R)-(+)-2-((3,5-Dibromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidineDTXSID90223463(R)-(+)-3,5-Dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamideRefChem:321506DTXCID901459543,5-dibromo-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide(R)-3,5-Dibromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide3,5-dibromo-N-{[(2R)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide(R)?-3,?5-?Dibromo-?N-?[(1-?ethyl-?2-?pyrrolidinyl)?methyl]?-?2,?6-?dimethoxybenzamidestarbld0029405
Show more names
AMbroxol CycloiMine IMpurityBenzamide, 3,5-dibromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-, (R)- (9CI)
CHEMBL2115287(R)-3,5-Dibromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- InChI
- InChI=1S/C16H22Br2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m1/s1
- InChIKey
- JCBGKPTVKBFSNZ-SNVBAGLBSA-N
- SMILES
- C(NC[C@H]1CCCN1CC)(=O)C1=C(OC)C(Br)=CC(Br)=C1OC
Chemistry & industry
Applications
Uses(R)-3,5-Dibromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide is used to study potential neuroleptic agents.
Suppliers23 total
天津始加生物医药科技有限公司15022261580 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
长沙晨辰医药科技有限公司189-75832125 13397510867 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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