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Rocuronium Bromide Impurity 70

CAT: 1596-AR-R11281-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11281-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2102929-98-4
Molecular Formula
C23H37NO2
Molecular Weight
359.55
API Name
Rocuronium

Chemical Information

Rocuronium Bromide Impurity 44
CAS Number2102929-98-4
PubChem CID18637382
IUPAC Name(1S,2S,4S,6R,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
Molecular FormulaC23H37NO2
Molecular Weight359.5
XLogP4.4
Topological Polar Surface Area36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity589
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@H]6[C@@H](C5)O6)C
InChI
InChI=1S/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19+,20-,21-,22-,23-/m0/s1
InChIKey
OPYVYACKKDTREB-RJAIZYJPSA-N
Chemical Structure
2D Structure
2D structure of Rocuronium Bromide Impurity 44
CAS: 2102929-98-4
CID: 18637382
Formula: C23H37NO2
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass359.282429423
Monoisotopic Mass359.282429423
Topological Polar Surface Area36 Ų
Heavy Atom Count26
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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