7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (+-)-(6-ars,10-ars)-
Basic information
- CAS
84132-04-7- Standard SMILES
CN1CCOC2c3cccc4c3C(=C(Br)[NH2+]4)CC21.O=C([O-])C(=O)O- InChIKey
KISVIJFFQBRCCC-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O5
- Average molar mass
- 397.22 g/mol
- Monoisotopic mass
- 396.03208
Names & identifiers
- Preferred name
- 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (+-)-(6-ars,10-ars)-
- IUPAC
- 10-bromo-6-methyl-3-oxa-6-aza-11-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;2-hydroxy-2-oxoacetate
Names & synonyms
7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-5-bromo-7-methyl-, oxalate, (+-)-(6-ars,10-ars)-84132-04-7RefChem:311409
Database identifiers
- CAS
84132-04-7- PubChem CID
- 55200
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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