Basic information
- CAS
76333-66-9- Standard SMILES
CC[N+]1(CCCOC(=O)C2C(c3ccccc3)C(C(=O)OCCC[N+]3(CC)CCCCC3)C2c2ccccc2)CCCCC1- InChIKey
FXOXTULDVBQKNV-UHFFFAOYSA-N- Molecular formula
- C38H56N2O4+2
- Average molar mass
- 604.9 g/mol
- Monoisotopic mass
- 604.42400827
Names & identifiers
- Preferred name
- Truxipicurium
- IUPAC
- bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate
Names & synonyms
TruxipicuriumAnatruksoniumAnatruxoniumTruxipicurium ionUNII-G4VRU844EUTruxipicurium catonG4VRU844EU1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, diester with 1-ethyl-1-(3-hydroxypropyl)piperidinium76333-66-9Piperidinium, 1-ethyl-1-(3-hydroxypropyl)-, diester with 2,4-diphenyl-1,3-cyclobutanedicarboxylic acid1-Ethyl-1-(3-hydroxypropyl)piperidinium alpha-2,4-diphenyl-1,3-cyclobutanedicarboxylatePiperidinium, 1,1'-((2,4-diphenyl-1,3-cyclobutanediyl)bis(carbonyloxy-3,1-propanediyl))bis(1-ethyl-, (1alpha,2alpha,3beta,4)-
Show more names
TRUXIPECURIUM IODIDECHEMBL2111185SCHEMBL29387570Q272787501-ETHYL-1-(3-HYDROXYPROPYL)PIPERIDINIUM .ALPHA.-2,4-DIPHENYL-1,3-CYCLOBUTANEDICARBOXYLATEPIPERIDINIUM, 1,1'-((2,4-DIPHENYL-1,3-CYCLOBUTANEDIYL)BIS(CARBONYLOXY-3,1-PROPANEDIYL))BIS(1-ETHYL-, (1.ALPHA.,2.ALPHA.,3.BETA.,4.BETA.)-
Database identifiers
- CAS
76333-66-9- PubChem CID
- 72152
- ChEMBL
CHEMBL2111185- UNII
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 2
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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