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SN38 glucuronide-[13C6]

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General Information
Catalog: BLP-004250
Molecular Formula: C22[13C]6H28N2O11
Molecular Weight: 574.48

Chemical Structure

Description	SN38 glucuronide-[13C6] is a labelled metabolite of Irinotecan.
Synonyms	(2S,3S,4S,5R,6S)-6-{[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo(4,5,6,7,8,9-diazape henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC Name	(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),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	121080-63-5 (unlabelled)
Canonical SMILES	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O
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/i5+1,6+1,7+1,11+1,13+1,17+1
InChI Key	SSJQVDUAKDRWTA-NJOAQVGYSA-N
Purity	>98%