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Vecuronium Bromide EP Impurity D

CAT: 1299-RM-V050304-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V050304-01Size:10 mg
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CAS Number
73319-30-9
Synonyms
1- ((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R) -3,17-dihydroxy-10,13-dimethyl-2- (piperidin-1-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl) -1-methylpiperidin-1-ium bromide
Molecular Formula
C30H53N2O2 Br
Molecular Weight
473.77 79.90
Target Alternative Name
Vecuronium Bromide
Product Name Synonym
1- ((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R) -3,17-dihydroxy-10,13-dimethyl-2- (piperidin-1-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl) -1-methylpiperidin-1-ium bromide

Chemical Information

3,17-Bis-deacetylvecuronium

structure given in first source

CAS Number73319-30-9
PubChem CID14029409
IUPAC Name(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide
Molecular FormulaC30H53BrN2O2
Molecular Weight553.7
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity746
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C.[Br-]
InChI
InChI=1S/C30H53N2O2.BrH/c1-29-13-12-23-22(24(29)19-26(28(29)34)32(3)16-8-5-9-17-32)11-10-21-18-27(33)25(20-30(21,23)2)31-14-6-4-7-15-31;/h21-28,33-34H,4-20H2,1-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1
InChIKey
DIGWZHJLXJPNBY-DSBFZBMTSA-M
Chemical Structure
2D Structure
2D structure of 3,17-Bis-deacetylvecuronium
CAS: 73319-30-9
CID: 14029409
Formula: C30H53BrN2O2
MW: 553.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass552.32904
Monoisotopic Mass552.32904
Topological Polar Surface Area43.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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AR-V06457-01Vecuronium Bromide Impurity 9
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