Chem
J-GLOBAL ID：200907076178773352   Nikkaji number：J1.362.516F

S-cis-Tamoxifen-N2-guanine adduct

S-cis-タモキシフェン-N2-グアニン付加物
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： C36H40N6O5
Molecular formula furigana： C36-H40-N6-O5
Molecular weight： 636.753
InChI： InChI=1S/C36H40N6O5/c1-23(38-36-39-34-33(35(45)40-36)37-22-42(34)30-20-28(44)29(21-43)47-30)31(24-10-6-4-7-11-24)32(25-12-8-5-9-13-25)26-14-16-27(17-15-26)46-19-18-41(2)3/h4-17,22-23,28-30,43-44H,18-21H2,1-3H3,(H2,38,39,40,45)/b32-31+/t23-,28-,29+,30+/m0/s1
InChI key： PQMGAUALSBAQAG-RUMPAENCSA-N
SMILES： C[C@H](Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1)/C(=C(/c1ccccc1)\c1ccc(OCCN(C)C)cc1)/c1ccccc1
Systematic name  (3)：
  • N,N-ジメチル-2-[4-[(1Z,3S)-1,2-ジフェニル-3-[6-オキソ-9-(2-デオキシ-β-D-リボフラノシル)-1,6-ジヒドロ-9H-プリン-2-イルアミノ]-1-ブテニル]フェノキシ]エタンアミン
  • 2-{[(2S,3Z)-4-{4-[2-(ジメチルアミノ)エトキシ]フェニル}-3,4-ジフェニルブタ-3-エン-2-イル]アミノ}-9-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-6,9-ジヒドロ-1H-プリン-6-オン
  • 2-{[(2S,3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]amino}-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Other name (3)：
  • N,N-Dimethyl-2-[4-[(1Z,3S)-1,2-diphenyl-3-[6-oxo-9-(2-deoxy-β-D-ribofuranosyl)-1,6-dihydro-9H-purine-2-ylamino]-1-butenyl]phenoxy]ethanamine
  • S-cis-タモキシフェン-N2-グアニン付加物
  • S-cis-Tamoxifen-N2-guanine adduct
Thsaurus map：
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