Brl 32872
Basic information
- CAS
113241-47-7- Standard SMILES
COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC.Cl- InChIKey
CMKVOHIRMCFVBJ-UHFFFAOYSA-N- Molecular formula
- C29H36ClN3O7
- Average molar mass
- 574.1 g/mol
- Monoisotopic mass
- 573.2241782
Overview
BRL 32872 is an organic molecular entity.
Names & identifiers
- Preferred name
- Brl 32872
- IUPAC
- N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide;hydrochloride
- English name
- N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amin o]propyl]-4-nitro-benzamide hydrochloride
- Molecular formula
- C29H36ClN3O7
- Molecular weight
- 0
Names & synonyms
Brl-32872BRL 32872113241-47-7WFVI5D2FH4Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-, monohydrochlorideRefChem:917579BRL-32872 FreeN-(3,4-Dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitrobenzamide hydrochlorideBRL-32872AN-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide;hydrochlorideBenzamide, N-(3,4-dimethoxyphenyl)-N-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-4-nitro-, hydrochloride (1:1)N-(3-((3,4-Dimethoxyphenethyl)(methyl)amino)propyl)-N-(3,4-dimethoxyphenyl)-4-nitrobenzamide hydrochloride
Show more names
N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amin o]propyl]-4-nitro-benzamide hydrochloride
AC1LCVJHCTK8G5946UNII-WFVI5D2FH4SureCN678425BRL-32872 hydrochlorideSureCN7333187SCHEMBL7333187CHEBI:34551
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 743
Physicochemical properties
- FDA UNII
- 5 D2FH4 · WFVI5D2FH4
Chemistry & industry
Additional notes
DefinitionChEBI: BRL 32872 is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…