Basic information
- CAS
99640-31-0- Standard SMILES
CN1CCc2cccc3c2C1Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1-3- InChIKey
CWWXHNHNJHBKQY-UHFFFAOYSA-N- Molecular formula
- C31H23Br2NO4
- Average molar mass
- 633.3 g/mol
- Monoisotopic mass
- 630.99938
Names & identifiers
- Preferred name
- O,O'-Di(4-bromobenzoyl)apomorphine
- IUPAC
- [11-(4-bromobenzoyl)oxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 4-bromobenzoate
Names & synonyms
O,O'-Di(4-bromobenzoyl)apomorphineBenzoic acid, 4-bromo-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester99640-31-04-Bromobenzoic acid 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, bis(p-bromobenzoate)RefChem:366227DTXSID809125766-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(4-bromobenzoate)
Database identifiers
- CAS
99640-31-0- PubChem CID
- 57522
- DTXSID
DTXSID80912576
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 855
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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