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N-Desmethyl Topotecan-[d3]

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N-Desmethyl Topotecan-[d3]

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General Information
Catalog: BLP-004972
CAS: 1217633-79-8
Molecular Formula: C22H18D3N3O5
Molecular Weight: 410.44

Chemical Structure

Description	N-Desmethyl Topotecan-[d3] is the labelled analogue of N-Desmethyl Topotecan, which is a metabolite of Topotecan. Topotecan is a topoisomerase I inhibitor and has been found to be an effective antineoplastic agent.
Synonyms	N-Desmethyl Topotecan D3; (4S)-4-Ethyl-4,9-dihydroxy-10-[(methylamino-d3)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
IUPAC Name	(19S)-19-ethyl-7,19-dihydroxy-8-[(trideuteriomethylamino)methyl]-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)-heptaene-14,18-dione
Related CAS	190710-79-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])NCC1=C(C=CC2=C1C=C3CN4C(=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)C3=N2)O
Canonical SMILES	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CNC)O)N=C4C3=C2)O
InChI	InChI=1S/C22H21N3O5/c1-3-22(29)15-7-17-19-11(9-25(17)20(27)14(15)10-30-21(22)28)6-12-13(8-23-2)18(26)5-4-16(12)24-19/h4-7,23,26,29H,3,8-10H2,1-2H3/t22-/m0/s1/i2D3
InChI Key	ZWUJOGCYOWLZFL-WOWPMFNVSA-N
Melting Point	>180°C (dec.)
Purity	≥90%; ≥95% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Yellow Solid
Storage	Store at 2-8°C under inert atmosphere

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