Chem
J-GLOBAL ID：200907077644115731   Nikkaji number：J2.766.237D

N-[6-(4-Fluorobenzoylamino)hexyl]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-[(4-フルオロフェニル)ホルムアミド]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： C23H35FN6[N+]2O5
Molecular formula furigana： C23-H35-F-N8-O5
Molecular weight： 522.581
InChI： InChI=1S/C23H33FN8O5/c24-15-7-5-14(6-8-15)18(33)27-10-3-1-2-4-11-28-21(34)37-13-16-17-23(31-19(25)30-17)22(35,36)9-12-32(23)20(26)29-16/h5-8,16-17,35-36H,1-4,9-13H2,(H2,26,29)(H,27,33)(H,28,34)(H3,25,30,31)/p+2/t16-,17?,23?/m0/s1
InChI key： QUBYQJKZEJYOMM-RJNZEALMSA-P
SMILES： OC1(O)CCN2C(=[NH2+])N[C@@H](COC(=O)NCCCCCCNC(=O)c3ccc(F)cc3)C3NC(=[NH2+])NC123
Systematic name  (3)：
  • N-[6-(4-フルオロベンゾイルアミノ)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-[(4-フルオロフェニル)ホルムアミド]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-[(4-fluorophenyl)formamido]hexyl}carbamoyl)oxy]methyl}-10,10-dihydroxy-decahydropyrrolo[1,2-c]purine-2,6-bis(iminium)
Other name (1)：
  • N-[6-(4-Fluorobenzoylamino)hexyl]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

Return to Previous Page

TOP

BOTTOM