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N-Boc-N-desethyl Sunitinib-[d5]

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N-Boc-N-desethyl Sunitinib-[d5]

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General Information
Catalog: BLP-004921
CAS: 1246832-84-7
Molecular Formula: C25H26D5FN4O4
Molecular Weight: 475.57

Chemical Structure

Description	N-Boc-N-desethyl Sunitinib-[d5] is the labelled analogue of N-Boc-N-desethyl Sunitinib, which is an intermediate in the preparation of Sunitinib metabolites.
Synonyms	N-Boc-N-desethyl Sunitinib D5; N-[2-(N-tert-Butoxycarbonylethylamino-d5)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; N-Boc-N-desethyl Sunitinib-d5
IUPAC Name	tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]-N-(1,1,2,2,2-pentadeuterioethyl)carbamate
Related CAS	1246833-23-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C)C(=O)OC(C)(C)C
Canonical SMILES	CCN(CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C)C(=O)OC(C)(C)C
InChI	InChI=1S/C25H31FN4O4/c1-7-30(24(33)34-25(4,5)6)11-10-27-23(32)21-14(2)20(28-15(21)3)13-18-17-12-16(26)8-9-19(17)29-22(18)31/h8-9,12-13,28H,7,10-11H2,1-6H3,(H,27,32)(H,29,31)/b18-13-/i1D3,7D2
InChI Key	GJJVBOSWZGYOFA-ILZNSAHESA-N
Purity	>98%

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