Chem
J-GLOBAL ID:200907036562502330   Nikkaji number:J2.576.501J

Ispinesib

イスピネシブ
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: C30H33ClN4O2
Molecular formula furigana: C30-H33-CL-N4-O2
Molecular weight: 517.070
InChI: InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
InChI key: QJZRFPJCWMNVAV-HHHXNRCGSA-N
SMILES: CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Systematic name  (4):
  • N-[(R)-1-(3-ベンジル-4-オキソ-7-クロロキナゾリン-2-イル)-2-メチルプロピル]-N-(3-アミノプロピル)-4-メチルベンズアミド
  • 7-クロロ-3-ベンジル-2-[(R)-1-[(3-アミノプロピル)(4-メチルベンゾイル)アミノ]-2-メチルプロピル]キナゾリン-4(3H)-オン
  • N-(3-アミノプロピル)-N-[(1R)-1-(3-ベンジル-7-クロロ-4-オキソ-3,4-ジヒドロキナゾリン-2-イル)-2-メチルプロピル]-4-メチルベンズアミド
  • N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
Other name (6):
  • N-[(R)-1-(3-Benzyl-4-oxo-7-chloroquinazoline-2-yl)-2-methylpropyl]-N-(3-aminopropyl)-4-methylbenzamide
  • イスピネシブ
  • Ispinesib
  • 7-Chloro-3-benzyl-2-[(R)-1-[(3-aminopropyl)(4-methylbenzoyl)amino]-2-methylpropyl]quinazoline-4(3H)-one
  • CK-0238273
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