Chem
J-GLOBAL ID：200907048124211096   Nikkaji number：J20.349A

BC-17

ヨードキサム酸
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： C26H26I6N2O10
Molecular formula furigana： C26-H26-I6-N2-O10
Molecular weight： 1287.925
InChI： InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChI key： WWVAPFRKZMUPHZ-UHFFFAOYSA-N
SMILES： OC(=O)c1c(I)cc(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I
Systematic name  (4)：
  • 3,3′-[(1,16-ジオキソ-4,7,10,13-テトラオキサヘキサデカン-1,16-ジイル)ジイミノ]ビス(2,4,6-トリヨード安息香酸)
  • 3,3′-[エチレンビス(オキシエチレンオキシエチレンカルボニルイミノ)]ビス(2,4,6-トリヨード安息香酸)
  • 3-{1-[(3-カルボキシ-2,4,6-トリヨードフェニル)カルバモイル]-3,6,9,12-テトラオキサペンタデカン-15-アミド}-2,4,6-トリヨード安息香酸
  • 3-{1-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-2,4,6-triiodobenzoic acid
Other name (10)：
  • ヨードキサム酸
  • B-10610
  • SQ-21982
  • Iodoxamic acid
  • 3,3′-[Ethylenebis(oxyethyleneoxyethylenecarbonylimino)]bis(2,4,6-triiodobenzoic acid)
Show all
CAS registry number： 31127-82-9
Regulation number (3)：
  • 4-(4)-802
  • 4-(4)-870
  • EINECS2504781
KEGG DRUG： D01312
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