8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
Basic information
- CAS
604-51-3- Standard SMILES
CN1C2CCC1CC(OC1c3ccccc3CCc3ccccc31)C2- InChIKey
ZWPODSUQWXAZNC-UHFFFAOYSA-N- Molecular formula
- C23H27NO
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.20926449
Overview
See also: Deptropine (annotation moved to).
Names & identifiers
- Preferred name
- 8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
- IUPAC
- 8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
- English name
- deptropine
- Molecular formula
- C23H27NO
- Molecular weight
- 333.47
Names & synonyms
604-51-3CHEMBL503237Deptropine (INN)8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-Prestwick0_001013Prestwick1_001013Prestwick2_001013SPBio_003036ZWPODSUQWXAZNC-UHFFFAOYSA-NBDBM50413520D074043-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane #
Show more names
deptropinedibenzheptropinedeptropine USP/EP/BPDeptropine (base and/or unspecified salts)(1R,5S)-3α-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]tropane8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, (3-endo)-
3-(6,11-dihydro-5H-dibenzo[[?],[?]][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.51 · 10.51±0.40(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 31301 GKG · AY31301GKG
- ATC code
- 6 AX16 · R06AX16
Chemistry & industry
Pharmacology
Metabolite PathwaysDeptropine H1-Antihistamine Action
Applications
UsesAntihistaminic.
Additional notes
DefinitionChEBI: An azabicycloalkane that is the 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ether of tropine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…