Deoxylycobetaine chloride
Basic information
- CAS
61221-42-9- Standard SMILES
[Cl-].c1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4- InChIKey
YUKCDVBATKXVAK-UHFFFAOYSA-M- Molecular formula
- C16H12ClNO2
- Average molar mass
- 285.72 g/mol
- Monoisotopic mass
- 285.0556563
Names & identifiers
- Preferred name
- Deoxylycobetaine chloride
- IUPAC
- 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaene chloride
Names & synonyms
Deoxylycobetaine chloride61221-42-9NSC 270693(1,3)Dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium, 4,5-dihydro-, chlorideRefChem:336813ANHYDROLYCORINIUM CHLORIDENSC270693NSC-270693AL45T82KTKCHEMBL479292DTXSID40976730[1,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-, chloride
Show more names
4,5-Dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium chloride[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-, chloride (1:1)4,5-Dihydro-10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-6-ium chloride
Database identifiers
- CAS
61221-42-9- PubChem CID
- 181302
- DTXSID
DTXSID40976730- ChEMBL
CHEMBL479292- UNII
- AL45T82KTK
Properties
Computed structural properties
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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