3-Deacetyl-17-acetyldacuronium bromide
Basic information
- CAS
41261-71-6- Standard SMILES
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C.[Br-].[Br-]- InChIKey
GVDVBILPKKKNQM-GMMLHHOXSA-L- Molecular formula
- C33H58Br2N2O3
- Average molar mass
- 690.6 g/mol
- Monoisotopic mass
- 688.28142
Names & identifiers
- Preferred name
- 3-Deacetyl-17-acetyldacuronium bromide
- IUPAC
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate dibromide
- English name
- PancuroniuM BroMide Related CoMpound B
- Molecular formula
- C33H58BrN2O3+
- Molecular weight
- 610.74
Names & synonyms
41261-71-63-Deacetyl-17-acetyldacuronium bromideL245TZ49VWRefChem:10676803-Hydroxy Vecuronium Dibromide[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;dibromideUNII-L245TZ49VWVecuronium Impurity 117-beta-Acetoxy-2-beta,16-beta-piperidino-5-alpha-androstan-3-alpha-ol dimethobromide5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, 17-acetatePiperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, 17-beta-acetate3-Desacetyl Pancuronium Bromide
Show more names
Pancuronium EP Impurity BDacuronium Bromide Impurity 1Pancuronium Bromide Impurity 2PancuroniuM BroMide Related CoMpound BPancuronium EP Impurity B (Pancuronium Bromide USP Related Compound B)
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 895
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 245 TZ49VW · L245TZ49VW
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- HS Code
- 2933399090 · 2933399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Applications
UsesPancuronium bromide Related Compound B USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia. Also, for use with USP monographs such as: Pancuronium Bromide Pancuronium Bromide Injection
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…