Chem
J-GLOBAL ID:200907013223885513
Nikkaji number:J459.944F
SN-38 glucuronide
SN-38グルクロニド
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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:
C28 H28 N2 O11
Molecular formula furigana:
C28-H28-N2-O11
Molecular weight:
568.535
InChI:
InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1
InChI key:
SSJQVDUAKDRWTA-CAYKMONMSA-N
SMILES:
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)c2nc2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc12
Systematic name (5):
[(4S)-4,11-ジエチル-4-ヒドロキシ-3,4,12,14-テトラヒドロ-3,14-ジオキソ-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン]-9-イルβ-D-グルコピラノシドウロン酸
9-[(β-D-グルコピラヌロノシル)オキシ]-4α,11-ジエチル-4β-ヒドロキシ-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14(4H,12H)-ジオン
(4S)-4,11-ジエチル-4β-ヒドロキシ-9-(β-D-グルコピラヌロノシルオキシ)-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14(4H,12H)-ジオン
(2S,3S,4S,5R,6S)-6-{[(19S)-10,19-ジエチル-19-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-7-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
(2S,3S,4S,5R,6S)-6-{[(19S)-10,19-diethyl-19-hydroxy-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-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (5):
9-[(β-D-Glucopyranuronosyl)oxy]-4α,11-diethyl-4β-hydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
SN-38グルクロニド
SN-38 glucuronide
(4S)-4,11-Diethyl-4β-hydroxy-9-(β-D-glucopyranuronosyloxy)-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
SN-38G
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