Dibenz(a,j)acridine-3,4-diol, 1,2,3,4-tetrahydro-, (3R-trans)-
Basic information
- CAS
116934-99-7- Standard SMILES
O[C@@H]1CCc2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O- InChIKey
MYHPPAFERZWUDW-NHCUHLMSSA-N- Molecular formula
- C21H17NO2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.12592879
Names & identifiers
- Preferred name
- Dibenz(a,j)acridine-3,4-diol, 1,2,3,4-tetrahydro-, (3R-trans)-
- IUPAC
- (7R,8R)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),10,13,15,17,19,21-nonaene-7,8-diol
Names & synonyms
116934-99-7Dibenz(a,j)acridine-3,4-diol, 1,2,3,4-tetrahydro-, (3R-trans)-(3r,4r)-1,2,3,4-tetrahydrodibenzo[a,j]acridine-3,4-diolDTXSID30151579
Database identifiers
- CAS
116934-99-7- PubChem CID
- 189449
- DTXSID
DTXSID30151579
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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