Isoapo-beta-erythroidine
Basic information
- CAS
2581-07-9- Standard SMILES
O=C1C=C2c3cccc4c3N(CC4)CCC2CO1- InChIKey
NFHDHFOAEACPDR-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- Isoapo-beta-erythroidine
- IUPAC
- 5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,13(17),14-tetraen-4-one
Names & synonyms
ISOAPO-beta-ERYTHROIDINEB1B2SN522D2581-07-911H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, 4,5,7,8,8a,9-hexahydro-RefChem:1087508BRN 0089013UNII-B1B2SN522DDTXSID20948713ISOAPO-.BETA.-ERYTHROIDINEISOAPO-.BETA.-ERYTHROIDINE [MI]Q272742514,5,7,8,8a,9-Hexahydro-11H-pyrano[4',3':4,5]azepino[3,2,1-hi]indol-11-one
Show more names
AZEPINO(3,2,1-HI)INDOLE-.DELTA.7(4H),.ALPHA.-ACETIC ACID, 1,2,5,6-TETRAHYDRO-6-(HYDROXYMETHYL)-, .DELTA.-LACTONE
Database identifiers
- CAS
2581-07-9- PubChem CID
- 17411
- DTXSID
DTXSID20948713- UNII
- B1B2SN522D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
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Compound notes
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