ChemicalBook--->CAS DataBase List--->121080-63-5

121080-63-5

121080-63-5 Structure

121080-63-5 Structure
IdentificationBack Directory
[Name]

SN-38 GLUCURONIDE
[CAS]

121080-63-5
[Synonyms]

SN-38 GLUCURONIDE
SN-38-d5 Glucuronide
SN38 13C6 glucuronide
4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl β-D-Glucopyranosiduronic Acid
b-D-Glucopyranosiduronic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl
(4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl β-D-Glucopyranosiduronic Acid
β-D-Glucopyranosiduronic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl
[Molecular Formula]

C28H28N2O11
[MDL Number]

MFCD00872153
[MOL File]

121080-63-5.mol
[Molecular Weight]

568.53
Chemical PropertiesBack Directory
[Melting point ]

>250°C (dec.)
[Boiling point ]

1019.7±65.0 °C(Predicted)
[density ]

1.67±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.72±0.70(Predicted)
[color ]

White to Yellow
[Stability:]

Hygroscopic
[InChIKey]

SSJQVDUAKDRWTA-NMHCCGJVNA-N
[SMILES]

C12=NC3=C(C=C(O[C@H]4[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O4)O)C=C3)C(CC)=C1CN1C(=O)C3COC(=O)[C@](O)(CC)C=3C=C21 |&1:7,8,10,11,13,34,r|
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

A metabolite of Irinotecan
[Definition]

ChEBI: SN38 glucuronide is a pyranoindolizinoquinoline.
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