Chem
J-GLOBAL ID:200907011764817070   Nikkaji number:J690.003H

N,N-Bis(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester

N,N-ビス(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-イル]エチル
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: C22H37Br2N4O8P
Molecular formula furigana: C22-H37-BR2-N4-O8-P
Molecular weight: 676.340
InChI: InChI=1S/C22H37Br2N4O8P/c1-15-13-22(2,3)26-19(35-15)5-11-33-37(32,27(9-6-23)10-7-24)34-14-17-16(29)12-20(36-17)28-8-4-18(30)25-21(28)31/h4,8,15-17,19-20,26,29H,5-7,9-14H2,1-3H3,(H,25,30,31)/t15?,16-,17+,19?,20+,37?/m0/s1
InChI key: TVRAGBSGOKIYPJ-ASAOUMNMSA-N
SMILES: CC1CC(C)(C)NC(CCOP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)N(CCBr)CCBr)O1
Systematic name  (3):
  • N,N-ビス(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-イル]エチル
  • 1-[(2R,4S,5R)-5-[({[ビス(2-ブロモエチル)アミノ][2-(4,4,6-トリメチル-1,3-オキサジナン-2-イル)エトキシ]ホスホリル}オキシ)メチル]-4-ヒドロキシオキソラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-5-[({[bis(2-bromoethyl)amino][2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)ethoxy]phosphoryl}oxy)methyl]-4-hydroxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • N,N-Bis(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester
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