1,2-Dehydro-3-oxo Rocuronium Bromide
Product Code
TRC-D230515
CAS Number
Product Format
Neat
Molecular Formula
C32 H49 N2 O4 . Br
Molecular Weight
605.65
API Family
RocuroniumProduct Categories
Impurity Reference Materials , TRC, Hormones, Steroids and derivatives, Hormones, Hormones, Steroids and derivatives, Additional Neuro Products
Product Type
ImpurityAlternate CAS Number
HPLC Purity
>95%
Drug Type
Steroids / Hormones
Documentation
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Product Information
Chemical Data
Analyte Name
1,2-dehydro-3-oxo Rocuronium bromide
CAS Number
1190105-67-9
Molecular Formula
C32 H49 N2 O4 . Br
Molecular Weight
605.65
Accurate Mass
604.2876
SMILES
[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4CC(=O)C(=C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CC=C)CCCC6
InChI
/m0./s1, InChI=1S/C32H49N2O4.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, /p-1/t23-,24+,25-,26-,28-,30-,31-,32-, /h5,21,23-26,28,30H,1,6-20H2,2-4H3, 1H/q+1
IUPAC
[(5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-3-oxo-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;bromide
Alternate CAS Number
942983-85-9
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
HPLC Purity
>95%
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