Chem
J-GLOBAL ID：200907079407096466   Nikkaji number：J577.299K

WP-401

WP-401
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： C27H28BrNO10
Molecular formula furigana： C27-H28-BR-N-O10
Molecular weight： 606.422
InChI： InChI=1S/C27H28BrNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9-,14-,19+,20-,21-,26-,27-/m0/s1
InChI key： RNTSDANIDLGPLQ-VQBVCDDFSA-N
SMILES： COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](N)[C@H]5Br)c4c(O)c3C(=O)c12)C(=O)C
Systematic name  (3)：
  • (8S)-8-アセチル-10α-[(3-アミノ-2-ブロモ-2,3,6-トリデオキシ-α-L-マンノピラノシル)オキシ]-7,8,9,10-テトラヒドロ-6,8α,11-トリヒドロキシ-1-メトキシ-5,12-ナフタセンジオン
  • (8S,10S)-8-アセチル-10-{[(2R,3R,4R,5R,6S)-4-アミノ-3-ブロモ-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6,8,11-トリヒドロキシ-1-メトキシ-5,7,8,9,10,12-ヘキサヒドロテトラセン-5,12-ジオン
  • (8S,10S)-8-acetyl-10-{[(2R,3R,4R,5R,6S)-4-amino-3-bromo-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (4)：
  • 2′-ブロモ-4′-エピダウノルビシン
  • WP-401
  • 2′-Bromo-4′-epidaunorubicin
  • (8S)-8-Acetyl-10α-[(3-amino-2-bromo-2,3,6-trideoxy-α-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8α,11-trihydroxy-1-methoxy-5,12-naphthacenedione
CAS registry number： 155029-34-8
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