Basic information
- CAS
37971-96-3- Standard SMILES
O=C(C[NH+]1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)C[NH+]3CCCCC3)ccc1O2.[Cl-].[Cl-]- InChIKey
SFTPXMOMVLJZAF-UHFFFAOYSA-N- Molecular formula
- C27H34Cl2N2O3
- Average molar mass
- 505.5 g/mol
- Monoisotopic mass
- 504.1946483
Names & identifiers
- Preferred name
- Ethanone, 1,1'-(9H-xanthene-2,7-diyl)bis(2-piperidino-, hydrochloride, hydrate (2:4:7)
- IUPAC
- 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride
Names & synonyms
NSC 2883971,1'-(9H-Xanthene-2,7-diyl)bis(2-piperidinoethanone) hydrochloride hydrate (2:4:7)Ethanone, 1,1'-(9H-xanthene-2,7-diyl)bis(2-piperidino-, hydrochloride, hydrate (2:4:7)37971-96-3RefChem:340975
Database identifiers
- CAS
37971-96-3- PubChem CID
- 37874
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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