Chem
J-GLOBAL ID：200907032638337605   Nikkaji number：J2.503.787A

BI-2536

BI-2536
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： C28H39N7O3
Molecular formula furigana： C28-H39-N7-O3
Molecular weight： 521.666
InChI： InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChI key： XQVVPGYIWAGRNI-JOCHJYFZSA-N
SMILES： CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Systematic name  (3)：
  • N-(1-メチル-4-ピペリジニル)-3-メトキシ-4-[[(7R)-7β-エチル-8-シクロペンチル-5-メチル-6-オキソ-5,6,7,8-テトラヒドロプテリジン]-2-イルアミノ]ベンズアミド
  • 4-{[(7R)-8-シクロペンチル-7-エチル-5-メチル-6-オキソ-5,6,7,8-テトラヒドロプテリジン-2-イル]アミノ}-3-メトキシ-N-(1-メチルピペリジン-4-イル)ベンズアミド
  • 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Other name (2)：
  • N-(1-Methyl-4-piperidinyl)-3-methoxy-4-[[(7R)-7β-ethyl-8-cyclopentyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridine]-2-ylamino]benzamide
  • BI-2536
Thsaurus map：
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