17-Desacetyl Rocuronium Bromide

CAT: 0572-TRC-D288705-50MGSize: 50 mgDry Ice: NoHazardous: No
CAT#:0572-TRC-D288705-50MGSize:50 mg
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CAS Number
119302-86-2
Synonyms
1-[3α,17β-Dihydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium Bromide; Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1); Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)-, bromide (9CI); 17-Desacetylrocuronium; Org 9943
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N5CCOCC5)[C@@H]1C[C@@H]([C@@H]2O)[N+]6(CC=C)CCCC6
Molecular Formula
C30 H51 N2 O3 . Br
Molecular Weight
567.64
InChI
InChI=1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1
Additionnal Information
IUPAC name: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-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]phenanthrene-3,17-diol;bromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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