Basic information
- CAS
69175-77-5- Standard SMILES
CN1C[C@@H]2Cc3ccc(Cl)cc3[C@@H](c3ccccc3)[C@@H]2C1- InChIKey
ZHKXDUQRKZQCQV-KFKAGJAMSA-N- Molecular formula
- C19H20ClN
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.1284273
Names & identifiers
- Preferred name
- Losindole
- IUPAC
- (3aS,4R,9aR)-6-chloro-2-methyl-4-phenyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindole
- English name
- Losindole
- Molecular formula
- C19H20ClN
- Molecular weight
- 297.82
Names & synonyms
Losindole69175-77-5Losindole [INN](3aS,4R,9aR)-6-chloro-2-methyl-4-phenyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindoleIX8TM6153H(3aS,4R,9aR)-6-chloro-2-methyl-4-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindoleUNII-IX8TM6153HSCHEMBL2110132DTXSID50219221NS00127203Q6683616(+-)-(3aalpha,4alpha,9aalpha)-6-Chloro-3a,4,9,9a-tetrahydro-2-methyl-4-phenylbenz(f)isoindoline
Show more names
(+/-)-(3A.ALPHA.,4.ALPHA.,9A.ALPHA.)-6-CHLORO-3A,4,9,9A-TETRAHYDRO-2-METHYL-4-PHENYLBENZ(F)ISOINDOLINE(- )-(3a alpha,4alpha,9a alpha)-6-Chloro-3a,4,9,9a-tetrahydro-2-methyl-4-phenylbenz(f)isoindoline.
Database identifiers
- CAS
69175-77-5- PubChem CID
- 3045392
- DTXSID
DTXSID50219221- ChEMBL
CHEMBL3989905- UNII
- IX8TM6153H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 400.081 · 400.081±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.751 · 9.751±0.40(predicted)
- FDA UNII
- 8 TM6153H · IX8TM6153H
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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