Chem
J-GLOBAL ID：200907029842009020   Nikkaji number：J2.256.754C

(αS)-α,8-Dihydroxy-1(11H)-oxo-α-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid 3,2-lactone

(αS)-α,8-ジヒドロキシ-1(11H)-オキソ-α-エチル-2-(ヒドロキシメチル)-9-(ジメチルアミニオメチル)-5,11a-ジアザ-11aH-ベンゾ[b]フルオレン-3-酢酸3,2-ラクトン
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： C23H24N2[N+]O5
Molecular formula furigana： C23-H24-N3-O5
Molecular weight： 422.460
InChI： InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/p+1/t23-/m0/s1
InChI key： UCFGDBYHRUNTLO-QHCPKHFHSA-O
SMILES： CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(O)c(C[NH+](C)C)c4cc3Cn1c2=O
Systematic name  (3)：
  • (αS)-α,8-ジヒドロキシ-1(11H)-オキソ-α-エチル-2-(ヒドロキシメチル)-9-(ジメチルアミニオメチル)-5,11a-ジアザ-11aH-ベンゾ[b]フルオレン-3-酢酸3,2-ラクトン
  • {[(19S)-19-エチル-7,19-ジヒドロキシ-14,18-ジオキソ-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,11.04,9.015,20]ヘンイコサ-1(21),2(11),3,5,7,9,15(20)-ヘプタエン-8-イル]メチル}ジメチルアザニウム
  • {[(19S)-19-ethyl-7,19-dihydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-8-yl]methyl}dimethylazanium
Other name (1)：
  • (αS)-α,8-Dihydroxy-1(11H)-oxo-α-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid 3,2-lactone
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