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Rocuronium Bromide EP Impurity F

CAT: 1299-RM-R031806-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R031806-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190105-66-8
Synonyms
1-allyl-1- ((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R) -3,17-diacetoxy-10,13-dimethyl-2- (pyrrolidin-1-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl) pyrrolidin-1-ium bromide
Molecular Formula
C34H55N2O4 Br
Molecular Weight
555.82 79.90
Target Alternative Name
Rocuronium Bromide
Product Name Synonym
1-allyl-1- ((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R) -3,17-diacetoxy-10,13-dimethyl-2- (pyrrolidin-1-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl) pyrrolidin-1-ium bromide

Chemical Information

2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide

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CAS Number1190105-66-8
PubChem CID129896733
IUPAC Name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
Molecular FormulaC34H55BrN2O4
Molecular Weight635.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity986
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCC6)CC=C)C.[Br-]
InChI
InChI=1S/C34H55N2O4.BrH/c1-6-17-36(18-9-10-19-36)30-21-28-26-12-11-25-20-31(39-23(2)37)29(35-15-7-8-16-35)22-34(25,5)27(26)13-14-33(28,4)32(30)40-24(3)38;/h6,25-32H,1,7-22H2,2-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKey
SRMGVJLZFIUKGN-PWXDFCLTSA-M
Chemical Structure
2D Structure
2D structure of 2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
CAS: 1190105-66-8
CID: 129896733
Formula: C34H55BrN2O4
MW: 635.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight635.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass634.33452
Monoisotopic Mass634.33452
Topological Polar Surface Area55.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity986
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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AR-R11249-01Rocuronium Bromide Impurity 30
AR-R11253-01Rocuronium Bromide Impurity 36
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