Basic information
- CAS
61389-37-5- Standard SMILES
CCOC(=O)Oc1ccc2c(c1OC(=O)OCC)-c1cccc3c1[C@@H](C2)N(C)CC3- InChIKey
UCZVWSPAXKBJQA-QGZVFWFLSA-N- Molecular formula
- C23H25NO6
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16818752
Names & identifiers
- Preferred name
- Carbonic acid, aporphine-10,11-diyl diethyl ester
- IUPAC
- [(6aR)-10-ethoxycarbonyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] ethyl carbonate
Names & synonyms
Aporphine-10,11-diyl diethyl carbonateBRN 1516470Carbonic acid, aporphine-10,11-diyl diethyl ester61389-37-5DTXSID40210308RefChem:333364DTXCID00132799Diethyl (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl biscarbonate
Database identifiers
- CAS
61389-37-5- PubChem CID
- 3045989
- DTXSID
DTXSID40210308
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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