Basic information
- CAS
63938-30-7- Standard SMILES
CO[C@H]1CC=C2CC[NH+]3CCc4cc5c(cc4C23C1)OCO5.[Br-]- InChIKey
POKLPAPNLSUOTH-WVEXQUBRSA-N- Molecular formula
- C18H22BrNO3
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.07831
Names & identifiers
- Preferred name
- Erythramine, hydrobromide
- IUPAC
- (19S)-19-methoxy-5,7-dioxa-13-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene bromide
Names & synonyms
ERYTHRAMINE, HYDROBROMIDEErythrinan, 1,6-didehydro-3-methoxy-15,16-(methylenebis(oxy))-, hydrobromide, (3-beta)-63938-30-7RefChem:339739Erythrinan, 1,6-didehydro-3-methoxy-15,16-(methylenebis(oxy))-, hydrobromide, (3-beta)-(9CI)
Database identifiers
- CAS
63938-30-7- PubChem CID
- 45570
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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