Chem
J-GLOBAL ID：200907025082028091   Nikkaji number：J1.427.879F

HMR-1556

HMR-1556
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H24F3NO5S
Molecular formula furigana： C17-H24-F3-N-O5-S
Molecular weight： 411.440
InChI： InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
InChI key： SRZRLJWUQFIZRH-LSDHHAIUSA-N
SMILES： CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(=O)(=O)C
Systematic name  (3)：
  • (3R,4S)-4-(N-メチルスルホニル-N-メチルアミノ)-3-ヒドロキシ-2,2-ジメチル-6-(4,4,4-トリフルオロブトキシ)クロマン
  • N-[(3R,4S)-3-ヒドロキシ-2,2-ジメチル-6-(4,4,4-トリフルオロブトキシ)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-N-メチルメタンスルホンアミド
  • N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-N-methylmethanesulfonamide
Other name (2)：
  • (3R,4S)-4-(N-Methylsulfonyl-N-methylamino)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman
  • HMR-1556
CAS registry number： 223749-46-0
KEGG COMPOUND： C13778
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