Basic information
- CAS
143-92-0- Standard SMILES
COC1CC2CC(OC(=O)C(O)(c3ccccc3)c3ccccc3)CC1[N+]2(C)C.[Br-]- InChIKey
OENFXACOWSBKMV-UHFFFAOYSA-M- Molecular formula
- C24H30BrNO4
- Average molar mass
- 476.4 g/mol
- Monoisotopic mass
- 475.13582
Overview
See also: Tropenziline Bromide (annotation moved to).
Names & identifiers
- Preferred name
- 3-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
- IUPAC
- (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
- English name
- tropenziline bromide
- Molecular formula
- C24H30BrNO4
- Molecular weight
- 476.41
Names & synonyms
3-{[hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide143-92-0(6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromideorb2815141DTXSID10931715OENFXACOWSBKMV-UHFFFAOYSA-MT2025703-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide3-{[Hydroxydi(phenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromideMTS-263Tropenzilinetropenziline bromide
Show more names
(7-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide(7-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-ethanoate bromide2-hydroxy-2,2-diphenyl-acetic acid (7-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide
Database identifiers
- CAS
143-92-0- PubChem CID
- 71491
- DTXSID
DTXSID10931715
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- FDA UNII
- 72 KR8VM · MNQ72KR8VM
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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