Chem
J-GLOBAL ID:200907023281643444
Nikkaji number:J426.676E
Codeine 6-glucuronide
コデイン6-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:
C24 H29 NO9
Molecular formula furigana:
C24-H29-N-O9
Molecular weight:
475.494
InChI:
InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1
InChI key:
CRWVOYRJXPDBPM-HSCJLHHPSA-N
SMILES:
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@H]5Oc1c2[C@]45CCN3C
Systematic name (4):
3-メトキシ-6α-(β-D-グルコピラヌロノシルオキシ)-17-メチル-4,5α-エポキシ-7,8-ジデヒドロモルフィナン
7,8-ジデヒドロ-4,5α-エポキシ-3-メトキシ-17-メチルモルフィナン-6α-イルβ-D-グルコピラノシドウロン酸
(2S,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(1S,5R,13R,14S,17R)-10-メトキシ-4-メチル-12-オキサ-4-アザペンタシクロ[9.6.1.01,13 .05,17 .07,18 ]オクタデカ-7,9,11(18),15-テトラエン-14-イル]オキシ}オキサン-2-カルボン酸
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13 .05,17 .07,18 ]octadeca-7,9,11(18),15-tetraen-14-yl]oxy}oxane-2-carboxylic acid
Other name (6):
コデイン6-グルクロニド
Codeine 6-glucuronide
7,8-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6α-yl β-D-glucopyranosiduronic acid
3-Methoxy-6α-(β-D-glucopyranuronosyloxy)-17-methyl-4,5α-epoxy-7,8-didehydromorphinan
Codeine-6-glucuronide
コデイン-6-グルクロニド
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CAS registry number:
20736-11-2
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