Chem
J-GLOBAL ID：200907011746361108
Nikkaji number：J1.013.957K
25,26-Dioxylato-11,23-dimethyl-3,7-bis(2-pyridinylmethyl)-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-1(25),9,11,13(26),14,19,21,23-octene
25,26-ジオキシラト-11,23-ジメチル-3,7-ビス(2-ピリジニルメチル)-3,7,15,19-テトラアザトリシクロ[19.3.1.19,13]ヘキサコサ-1(25),9,11,13(26),14,19,21,23-オクタエン
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
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
Molecular formula： C36H40N6[O-]2
Molecular formula furigana： C36-H40-N6-O2
Molecular weight： 588.757
InChI：
InChI=1S/C36H42N6O2/c1-27-17-29-21-37-11-7-12-38-22-30-18-28(2)20-32(36(30)44)24-42(26-34-10-4-6-14-40-34)16-8-15-41(23-31(19-27)35(29)43)25-33-9-3-5-13-39-33/h3-6,9-10,13-14,17-22,43-44H,7-8,11-12,15-16,23-26H2,1-2H3/p-2
InChI key：
RAHBPOPOFOTATD-UHFFFAOYSA-L
SMILES：
Cc1cc2CN(Cc3ccccn3)CCCN(Cc3ccccn3)Cc3cc(C)cc(C=NCCCN=Cc(c1)c2[O-])c3[O-]
Systematic name (3)：
- 25,26-ジオキシラト-11,23-ジメチル-3,7-ビス(2-ピリジニルメチル)-3,7,15,19-テトラアザトリシクロ[19.3.1.19,13]ヘキサコサ-1(25),9,11,13(26),14,19,21,23-オクタエン
- 11,23-ジメチル-15,19-ビス[(ピリジン-2-イル)メチル]-3,7,15,19-テトラアザトリシクロ[19.3.1.19,13]ヘキサコサ-1(25),2,7,9,11,13(26),21,23-オクタエン-25,26-ビス(オラート)
- 11,23-dimethyl-15,19-bis[(pyridin-2-yl)methyl]-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9,11,13(26),21,23-octaene-25,26-bis(olate)
- 25,26-Dioxylato-11,23-dimethyl-3,7-bis(2-pyridinylmethyl)-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-1(25),9,11,13(26),14,19,21,23-octene
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