Basic information
- CAS
19410-02-7- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ncccc31)C2- InChIKey
DPNODNPIXASWQY-DRJZYHPHSA-N- Molecular formula
- C22H24N2O
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.18886339
Overview
See also: Tropirine (annotation moved to).
Names & identifiers
- Preferred name
- Tropirine
- IUPAC
- 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
- English name
- Tropirine
- Molecular formula
- C22H24N2O
- Molecular weight
- 332.44
Names & synonyms
TropirineTropirine [INN]Tropirina19410-02-7HQI5U1E83EBS 7723 FREE BASEBS-7723 FREE BASETropirinumTropirinum [INN-Latin]Tropirina [INN-Spanish]UNII-HQI5U1E83EBRN 1498977
Show more names
(1R,5S)-3α-[(5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
3alpha-((1-Aza-5H-dibenzo(a,d)cycloheoten-5-yl)oxy)tropan3alpha-((5H-Benzo(4.5)cyclohepta(1,2-b)pyridyl)-5-oxytropane5-(3-alpha-Tropanyloxy)-5H-benzo(4,5)cyclohepta(1,2-b)pyridineorb2815464CHEMBL2105602SCHEMBL29385358BS 7723 [AS MALEATE]DTXSID701043199
Database identifiers
- CAS
19410-02-7- PubChem CID
- 65693
- DTXSID
DTXSID701043199- ChEMBL
CHEMBL2105602- UNII
- HQI5U1E83E
- Nikkaji
- J13.355H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 491.97 · 491.970±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.214 · 1.214±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.865 · 9.865±0.10(predicted)
- FDA UNII
- 5 U1E83E · HQI5U1E83E
Chemistry & industry
Applications
UsesTropirine (BS-7723 free base) is a radiosensitizer. Tropirine can be used in cancer research[1].
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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