Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(diphenylmethyl)piperazinyl)methyl-, dimaleate
Basic information
- CAS
64036-67-5- Standard SMILES
O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1ccc(C(c2ccccc2)N2CCN(CC3COC4(O3)c3ccccc3CCc3ccccc34)CC2)cc1- InChIKey
IGVGULKYVNFIOV-SPIKMXEPSA-N- Molecular formula
- C43H44N2O10
- Average molar mass
- 748.8 g/mol
- Monoisotopic mass
- 748.2995956
Names & identifiers
- Preferred name
- Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(diphenylmethyl)piperazinyl)methyl-, dimaleate
- IUPAC
- 1-benzhydryl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazine;bis((Z)-but-2-enedioic acid)
Names & synonyms
64036-67-5Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(diphenylmethyl)piperazinyl)methyl-, dimaleateRefChem:1098943
Database identifiers
- CAS
64036-67-5- PubChem CID
- 6437892
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 846
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Compound notes
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