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tert-Butyl(1R,2S,5S)-2-amino-5-(dimethylamino)carbamoyl)cyclohexylcarbamate oxalate monohydrate

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Catalog Number	PR1353893227
CAS	1353893-22-7
Structure
IUPAC Name	tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid;hydrate
Molecular Weight	393.43
Molecular Formula	C16H31N3O8
InChI	ITHHOLNNUWAHNP-MTFBGNCFSA-N
InChI Key	InChI=1S/C14H27N3O3.C2H2O4.H2O/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6;/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6);1H2/t9-,10-,11+;;/m0../s1
Applications/Corresponding APIs	Edoxaban
Isomeric SMILES	CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O.O

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