Chem
J-GLOBAL ID：200907095690214580   Nikkaji number：J2.766.234J

N-(6-Ammoniohexyl)carbamic acid 6,11-bis(iminio)-2,2-dihydroxy-5,7,10,12-tetraazatricyclo[7.3.0.01,5]dodecane-8β-ylmethyl ester

(4R)-4-({[(6-アザニウミルヘキシル)カルバモイル]オキシ}メチル)-10,10-ジヒドロキシ-デカヒドロピロロ[1,2-c]プリン-2,6-ビス(イミニウム)
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： C16H33N5[N+]3O4
Molecular formula furigana： C16-H33-N8-O4
Molecular weight： 401.490
InChI： InChI=1S/C16H30N8O4/c17-6-3-1-2-4-7-20-14(25)28-9-10-11-16(23-12(18)22-11)15(26,27)5-8-24(16)13(19)21-10/h10-11,26-27H,1-9,17H2,(H2,19,21)(H,20,25)(H3,18,22,23)/p+3/t10-,11?,16?/m0/s1
InChI key： WYRJMAPYKKVMDC-SGWRBKMISA-Q
SMILES： [NH3+]CCCCCCNC(=O)OC[C@@H]1NC(=[NH2+])N2CCC(O)(O)C32NC(=[NH2+])NC13
Systematic name  (3)：
  • N-(6-アンモニオヘキシル)カルバミド酸6,11-ビス(イミニオ)-2,2-ジヒドロキシ-5,7,10,12-テトラアザトリシクロ[7.3.0.01,5]ドデカン-8β-イルメチル
  • (4R)-4-({[(6-アザニウミルヘキシル)カルバモイル]オキシ}メチル)-10,10-ジヒドロキシ-デカヒドロピロロ[1,2-c]プリン-2,6-ビス(イミニウム)
  • (4R)-4-({[(6-azaniumylhexyl)carbamoyl]oxy}methyl)-10,10-dihydroxy-decahydropyrrolo[1,2-c]purine-2,6-bis(iminium)
Other name (1)：
  • N-(6-Ammoniohexyl)carbamic acid 6,11-bis(iminio)-2,2-dihydroxy-5,7,10,12-tetraazatricyclo[7.3.0.01,5]dodecane-8β-ylmethyl ester
Thsaurus map：
Thesaurus Map

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