Rocuronium bromide CRS
Product Code
EPY0001580
CAS Number
Product Format
Neat
Molecular Formula
C32 H53 N2 O4 . Br
Molecular Weight
609.68
API Family
Rocuronium BromideProduct Categories
Product Type
APIAlternate CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Rocuronium bromide
CAS Number
119302-91-9
Molecular Formula
C32 H53 N2 O4 . Br
Molecular Weight
609.68
Accurate Mass
608.3189
Flash Point
-20.0
SMILES
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CC=C)CCCC6
InChI
InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35, /h5,23-30,36H,1,6-21H2,2-4H3, /p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-, /m0./s1, 1H/q+1
IUPAC
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-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;bromide
Alternate CAS Number
143558-00-3
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
FRANCE
Product Attributes
Product Type
API
Product Format
Neat
API Family
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