Octatropine
Basic information
- CAS
70642-90-9- Standard SMILES
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C- InChIKey
QSFKGMJOKUZAJM-CNKDKAJDSA-M- Molecular formula
- C17H32NO2+
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.24330426
Names & identifiers
- Preferred name
- Octatropine
- IUPAC
- [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate
- English name
- 8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, endo-
- Molecular weight
- 0
Names & synonyms
OctatropineMethyl anisotropinium704G17JK6870642-90-9NCGC00021394-03NCGC00021394-04UNII-704G17JK68METHYL OCTATROPINIUMN-METHYLANISOTROPINIUMMETHYL OCTATROPINIUM IONcid_657201METHYL ANISOTROPINIUM ION
Show more names
methyloctatropineANISOTROPINE METHYLBROMIDEOCTATROPINE METHYLBROMIDE8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, endo-8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(1-oxo-2-propylpentyl)oxy]-, (3-endo)- (9CI)
CHEMBL1186610SCHEMBL29394345BDBM39338METHYL OCTATROPINIUM CATIONMETHYL ANISOTROPINIUM CATION8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((1-oxo-2-propylpentyl)oxy)-, endo-MLS-0002939NCGC00018298-01
Database identifiers
- CAS
70642-90-9- PubChem CID
- 657202
- ChEMBL
CHEMBL1186610- UNII
- 704G17JK68
- Nikkaji
- J231.661G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 318
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 704 G17JK68 · 704G17JK68
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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