Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1)
Basic information
- CAS
28058-63-1- Standard SMILES
CC1(C)c2ccccc2N(CCC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c2ccccc21.[Cl-].[Cl-]- InChIKey
ZHSFBTTUQMEWAM-UHFFFAOYSA-N- Molecular formula
- C29H42Cl2N4O
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 532.2735674
Names & identifiers
- Preferred name
- Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1)
- IUPAC
- 1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Names & synonyms
28058-63-19,9-Dimethyl-10-(3-(4-carbamoyl-4-piperidinopiperidino)propyl)acridan 2HCl hydrateIsonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1)RefChem:349716
Database identifiers
- CAS
28058-63-1- PubChem CID
- 34130
Properties
Computed structural properties
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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