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9α-Bromobudesonide - 95%, high purity , CAS No.313474-59-8
Basic Description
Synonyms | 313474-59-8|D7DSY2P2HX|9alpha-Bromobudesonide|UNII-D7DSY2P2HX|Budesonide impurity J [EP]|(1S,2S,4R,8S,9S,11S,12R,13S)-12-Bromo-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one|16alph |
Specifications & Purity | 95% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | (1S,2S,4R,8S,9S,11S,12R,13S)-12-bromo-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one |
INCHI | InChI=1S/C25H33BrO6/c1-4-5-21-31-20-11-17-16-7-6-14-10-15(28)8-9-22(14,2)24(16,26)18(29)12-23(17,3)25(20,32-21)19(30)13-27/h8-10,16-18,20-21,27,29H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22-,23-,24-,25+/m0/s1 |
InChi Key | KSJCBAYFDFDDEM-QRXHXLOESA-N |
Canonical SMILES | CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)Br)C |
Isomeric SMILES | CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)Br)C |
PubChem CID | 15391898 |
Molecular Weight | 509.43 |
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Chemical and Physical Properties
Melt Point(°C) | >175°C (dec.) |
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