Chem
J-GLOBAL ID：200907095458462365   Nikkaji number：J2.774.205J

CPT-11 carboxylate form

CPT-11カルボン酸型
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： C32H40N4O5
Molecular formula furigana： C32-H40-N4-O5
Molecular weight： 560.695
InChI： InChI=1S/C32H40N4O5/c1-3-22-23-16-21(35-14-10-20(11-15-35)34-12-6-5-7-13-34)8-9-27(23)33-29-24(22)18-36-28(29)17-26(25(19-37)30(36)38)32(41,4-2)31(39)40/h8-9,16-17,20,37,41H,3-7,10-15,18-19H2,1-2H3,(H,39,40)/t32-/m0/s1
InChI key： MFIWKIWDUPDUNR-YTTGMZPUSA-N
SMILES： CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(=O)O)c2nc2ccc(cc12)N1CCC(CC1)N1CCCCC1
Systematic name  (3)：
  • (αS)-α,12-ジエチル-9,11-ジヒドロ-α-ヒドロキシ-8-(ヒドロキシメチル)-9-オキソ-2-(4,1′-ビピペリジン-1-イル)インドリジノ[1,2-b]キノリン-7-酢酸
  • (2S)-2-(2-{[1,4'-ビピペリジン]-1'-イル}-12-エチル-8-(ヒドロキシメチル)-9-オキソ-9H,11H-インドリジノ[1,2-b]キノリン-7-イル)-2-ヒドロキシブタン酸
  • (2S)-2-(2-{[1,4'-bipiperidin]-1'-yl}-12-ethyl-8-(hydroxymethyl)-9-oxo-9H,11H-indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoic acid
Other name (3)：
  • (αS)-α,12-Diethyl-9,11-dihydro-α-hydroxy-8-(hydroxymethyl)-9-oxo-2-(4,1′-bipiperidine-1-yl)indolizino[1,2-b]quinoline-7-acetic acid
  • CPT-11 carboxylate form
  • CPT-11カルボン酸型
KEGG COMPOUND： C11365
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