Details of the Drug Metabolite (DM) | INTEDE

General Information of Drug Metabolite (DM) (ID: DM020056)
DM Name	Laninamivir
Synonyms	Laninamivir\|203120-17-6\|R-125489\|Laninamivir (CS-8958)\|(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid\|B408IW3GL5\|D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-\|Laninamivir (INN)\|(2R,3R,4S)-3-acetamido-2-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid\|LANINAMIVIR [INN]\|R 125489\|(4S,5R,6R)-5-acetamido-4-carbamimidamido-6-((1R,2R)-3-hydroxy-2-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid\|5-(Acetylamino)-2,6-Anhydro-4-Carbamimidamido-3,4,5-Trideoxy-7-O-Methyl-D-Glycero-D-Galacto-Non-2-Enonic Acid\|Laninamivir [INN:JAN]\|UNII-B408IW3GL5\|LANI\|LANINAMIVIR [MI]\|LANINAMIVIR [MART.]\|LANINAMIVIR [WHO-DD]\|CHEMBL466246\|SCHEMBL12284832\|DTXSID60942457\|CHEBI:177801\|BCPP000190\|GLXC-15033\|BCP27633\|EX-A4019\|BDBM50009296\|AKOS015850995\|AKOS032947260\|BCP9000836\|DB12791\|(2R,3R,4S)-3-acetamido-2-[(1R,2R)-2,3-dihydroxy-1-methoxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid\|(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid\|AC-36457\|HY-14818\|MS-25321\|CS-0003575\|C21557\|D09410\|A814430\|Q6487096\|R 125489R 125489\|(4S,5R,6R)-5-Acetamido-4-guanidino-6- ((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic Acid\|5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-Non-2-enonic Acid\|5-Acetylamino-4-(diaminomethyl-amino)-6-(2,3-dihydroxy-1-methoxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid
Structure
Structure	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		346.34	Topological Polar Surface Area		190
	Heavy Atom Count		24	Rotatable Bond Count		7
	Hydrogen Bond Donor Count		6	Hydrogen Bond Acceptor Count		8
PubChem CID	502272
Complexity	532
Formula	C13H22N4O7
Canonical SMILES	CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)N=C(N)N
InChI	InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
InChIKey	QNRRHYPPQFELSF-CNYIRLTGSA-N
IUPAC name	(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Full List of Drug-Metabolizing Enzyme (DME) Related to This DM

DME(s) Producing This DM through Metabolism

DME Name	DME ID	Reactant	Reaction	Related Drug	REF
Esterases (ES)	DMEN229	Laninamivir octanoate	Hydrolysis - Hydrolyzation	CS-8958	[1]

Full List of Drug(s) That Produce This DM By Metabolism
CS-8958		DR3430	Phase 3		Influenza virus infection

References
1	Laninamivir octanoate: a new long-acting neuraminidase inhibitor for the treatment of influenza

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