Chem
J-GLOBAL ID:200907061242157361   Nikkaji number:J2.766.233A

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

(4R)-10,10-ジヒドロキシ-4-({[(プロパン-2-イル)カルバモイル]オキシ}メチル)-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: C13H25N5[N+]2O4
Molecular formula furigana: C13-H25-N7-O4
Molecular weight: 343.387
InChI: InChI=1S/C13H23N7O4/c1-6(2)16-11(21)24-5-7-8-13(19-9(14)18-8)12(22,23)3-4-20(13)10(15)17-7/h6-8,22-23H,3-5H2,1-2H3,(H2,15,17)(H,16,21)(H3,14,18,19)/p+2/t7-,8?,13?/m0/s1
InChI key: WZHKKWRCGDGTQN-DWHFKYGWSA-P
SMILES: CC(C)NC(=O)OC[C@@H]1NC(=[NH2+])N2CCC(O)(O)C32NC(=[NH2+])NC13
Systematic name  (3):
  • N-イソプロピルカルバミド酸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)-10,10-ジヒドロキシ-4-({[(プロパン-2-イル)カルバモイル]オキシ}メチル)-デカヒドロピロロ[1,2-c]プリン-2,6-ビス(イミニウム)
  • (4R)-10,10-dihydroxy-4-({[(propan-2-yl)carbamoyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-2,6-bis(iminium)
Other name (1):
  • N-Isopropylcarbamic acid 6,11-bis(iminio)-2,2-dihydroxy-5,7,10,12-tetraazatricyclo[7.3.0.01,5]dodecane-8β-ylmethyl ester
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