Endobenzyline Bromide
Basic information
- CAS
52080-56-5- Standard SMILES
C[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)C1CC2C=CC1C2.[Br-]- InChIKey
QNLXHSHSGBVAHM-UHFFFAOYSA-M- Molecular formula
- C20H28BrNO3
- Average molar mass
- 410.3 g/mol
- Monoisotopic mass
- 409.12526
Names & identifiers
- Preferred name
- Endobenzyline Bromide
- IUPAC
- 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)-2-hydroxy-2-phenylacetyl]oxyethyl-trimethylazanium bromide
Names & synonyms
ENDOBENZYLINE BROMIDEUlcynEndobenziline bromideUlcynendobenziline bromide52080-56-5UNII-L8T5A0W647PC-1238L8T5A0W647Choline bromide alpha-phenyl-5-norbornene-2-glycolate2-((Bicyclo(2.2.1)hept-5-en-2-ylhydroxyphenylacetyl)oxy)-N,N,N-trimethylethanaminium bromideENDOBENZYLINE BROMIDE [MI]alpha-Phenyl-5-norbornene-2-glycolic acid 2-dimethylaminoethyl ester methyl bromide
Show more names
N,N-Dimethylaminoethyl alpha-(bicyclo-(2.2.1)-5-heptenyl)mandelate methyl bromideEthanaminium, 2-((bicyclo(2.2.1)hept-5-en-2-ylhydroxyphenylacetyl)oxy)-N,N,N-trimethyl-, bromideCHOLINE BROMIDE .ALPHA.-PHENYL-5-NORBORNENE-2-GLYCOLATEN,N-(DIMETHYL)AMINO ETHYL-A-(BICYCLO(2.2.1)-5-HEPTENYL MANDELATE METHYL BROMIDEETHANAMINIUM, 2-((2-BICYCLO(2.2.1)HEPT-5-EN-2-YL-2-HYDROXY-2-PHENYLACETYL)OXY)-N,N,N-TRIMETHYL-, BROMIDE (1:1)RefChem:136780CHEMBL2106173DTXSID90966444
Database identifiers
- CAS
52080-56-5- PubChem CID
- 40222
- DTXSID
DTXSID90966444- ChEMBL
CHEMBL2106173- UNII
- L8T5A0W647
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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