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(2b,3a,5a,16b,17b)-17-Acetoxy-3-Hydroxy-2-(4-Morpholinyl)-16-(1-Pyrrolidinyl)Androstane

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(2B,3A,5A,16B,17B)-17-Acetoxy-3-Hydroxy-2-(4-Morpholinyl)-16-(1-Pyrrolidinyl)Androstane / CAS : 119302-24-8

Appearance solid UN -
HS 29349990 DG Class -
Synonyms Rocuronium Bromide Intermediate Viii; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Hydroxy-10,13-Dimethyl-2-Morpholin-4-Yl-16-Pyrrolidin-1-Yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; 2Beta-(4-Morpholinyl)-16Beta-(1-Pyrrolidinyl)-5Alpha-Androstane-3Alpha,17Beta-Diol 17-Acetate; Androstane-3,17-Diol, 2-(4-Morpholinyl)-16-(1-Pyrrolidinyl)-, 17-Acetate, (2Beta,3Alpha,5Alpha,16Beta,17Beta)-
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Properties

Summary

Formula
C29H48N2O4
Molecular Mass
488.70200
Exact Mass
488.36100
PSA
62.24000
Logp
3.58250
IUPAC
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SMILES
CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)N6CCCC6

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Other Chemical Drugs
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Density
1.17g/cm3
Boiling Point
574.1ºC
Flash Point
301ºC
Appearance
solid

Export information

HS Code
29349990
Export Rebate
10%

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