Basic information
- CAS
478-85-3- Standard SMILES
O=C1CC2=C(CCN3CCc4cccc2c43)CO1- InChIKey
CXZASPBCKWVXBP-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- Apo-beta-erythroidine
- IUPAC
- 5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),13(17),14-tetraen-4-one
- English name
- Apo-b-erythroidine
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
APO-beta-ERYTHROIDINEBRN 0252154UNII-F1KCY9Q2FQF1KCY9Q2FQ478-85-3APO-.BETA.-ERYTHROIDINEDTXSID601972884-27-00-02889 (Beilstein Handbook Reference)11H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, 4,5,7,8,9,12-hexahydro-APO-.BETA.-ERYTHROIDINE [MI]5H-PYRANO(3,4-D)PYRROLO(3,2,1-JK)(1)BENZAZEPIN-5-ONE, 4,7,8,9,11,12-HEXAHYDRO-RefChem:113471
Show more names
Apo-b-erythroidine5H-Pyrano[3,4-d]pyrrolo[3,2,1-jk][1]benzazepin-5-one, 4,7,8,9,11,12-hexahydro-
DTXCID7011977911H-Pyrano(3,4-d)pyrrolo(3,2,1-jk)(1)benzazepin-11-one, 4,5,7,8,9,12-hexahydro-(9CI)Q272775194,5,7,8,9,12-Hexahydro-11H-pyrano[4',3':4,5]azepino[3,2,1-hi]indol-11-one
Database identifiers
- CAS
478-85-3- PubChem CID
- 10172
- DTXSID
DTXSID60197288- UNII
- F1KCY9Q2FQ
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 415
Physicochemical properties
- Melting point
- 128 · 128-129°; mp 132-132.5°
- FDA UNII
- 1 KCY9Q2FQ · F1KCY9Q2FQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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