AG001ABF

139110-80-8 | D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-

AG001ABF

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CAS Number	139110-80-8
Catalog Number	AG001ABF(AGN-PC-0PNUMQ)
Chemical Name	D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-
IUPAC Name	(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
InChI	InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
InChI Key	ARAIBEBZBOPLMB-UFGQHTETSA-N
MDL Number	MFCD03791324
Molecular Formula	C12H20N4O7
Molecular Weight	332.3098
SMILES	O=C(C1=C[C@H](NC(N)=N)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1)O
UNII	L6O3XI777I
Synonyms	2,3-Didehydro-2,4-Dideoxy-4-Guanidino-N-Acetyl-D-Neuraminic Acid, 2,3-Didehydro-2,4-Dideoxy-4-Guanidinyl-N-Acetylneuraminic Acid, 4 Guanidino 2 Deoxy 2,3 Didehydro N Acetylneuraminic Acid, 4 Guanidino Neu5Ac2en, 4-Guanidino-2,4-Dideoxy-2,3-Didehydro-N-Acetylneuraminic Acid, 4-Guanidino-2-Deoxy-2,3-Didehydro-N-Acetylneuraminic Acid, 4-Guanidino-Neu5Ac2en, 5-Acetylamino-2,6-Anhydro-4-Guanidino-3,4,5-Trideoxy-D-Galacto-Non-Enoic Acid, Acid, 4-Guanidino-2-Deoxy-2,3-Didehydro-N-Acetylneuraminic, GG 167, GG-167, GG167, Relenza, Zanamivir, zanamivir, 139110-80-8, Relenza, 4-Guanidino-Neu5Ac2en, Zanamivir hydrate, GANA, Zanamavir, MODIFIED SIALIC ACID, GG167, UNII-L6O3XI777I, GG 167, GR-121167X, Zanamivir (Relenza), Relenza (TN), 4-Guanidino-2,4-dideoxy-2,3-dehydro-N-acetylneuraminic acid, GR 121167X, CHEMBL222813, L6O3XI777I, ZMR, CHEBI:50663, GANA (inhibitor), MFCD00866966, 5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-guanidino-D-glycero-D-galacto-non-2-enonic acid, GNA, GG-167, DSSTox_CID_3749, DSSTox_RID_77184, DSSTox_GSID_23749, Zanamivir [USAN:INN:BAN], HSDB 7437, C12H20N4O7, (2R,3R,4S)-3-acetamido-4-((diaminomethylene)amino)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid, CAS-139110-80-8, 4-Guanidino-NeueAc2en, Zanamivir (USAN/INN), Zanamir, Zanamivi, zanamivir-relenza, 2qwe, NCGC00164561-01, (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid, AK163166, GR121167X, 1a4g, AC1L1U2A, SCHEMBL9501, BIDD:GT0349, BDBM4934, DTXSID0023749, Zanamivir, >=98% (HPLC), KS-00000XNB, AOB3954, D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-(aminoiminomethyl)amino)-2,6-anhydro-3,4,5-trideoxy-, ZINC3918138, Tox21_112190, BDBM50330326, GC5399, s3007, AKOS015841013, AKOS015994539, Tox21_112190_1, BS-1017, CS-0631, DB00558, NCGC00164561-02, 5-(acetylamino)-4-{[amino(imino)methyl]amino}-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid, HY-13210, SC-20899, GR-121167, ST24050375, C08095, D00902, W-5155, AB01566897_01, 110Z808, Q-201942, Zanamivir, United States Pharmacopeia (USP) Reference Standard, Zanamivir for assay, EuropePharmacopoeia (EP) Reference Standard, 2,3-Didehydro-2,4-dideoxy-4-guanidine-N-acetyl-acetyl-D-neuraminic acid, 5-Acetamino-2,6-anhydro-4-guanidino-3,4,5-trideoxy-D-galcto-non-enoic acid, Zanamivir for system suitability, European Pharmacopoeia (EP) Reference Standard, (2R,3R,4S)-3-(acetylamino)-4-carbamimidamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-3-acetamido-4-guanidino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid, (2r,3r,4s)-4-[(diaminomethylidene)amino]-3-acetamido-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid, (2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid, (4S,5R,6R)-5-acetamido-4-(diaminomethyleneamino)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propy)-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-Acetylamino-4-guanidino-6-((R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, 4-diaminomethylamino-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R)-3,4-dihydro-2H-6-pyrancarboxylic acid(Zanamivir), 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-D-glycero-D-galacto-non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid, 5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic Acid, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid, 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, 5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid(zanamivir), 5-Formylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, BAC-zanamivir, 4 Guanidino Neu5Ac2en, Zanamivir hydrate [JAN], D00NPP, D01VUZ, D04RPZ, UNII-9E25RDB1Q0, Zanamivir [USAN:BAN:INN], CID60855, C12-H20-N4-O7, ACN-038107, CS-O-30822, BAC-zanamivir (influenza virus infection), B2136, Z0023, J1.917.534K, A11613, D01937, BAC-zanamivir (influenza virus infection), TSRL, D053243, 2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID, 4 Guanidino 2 Deoxy 2,3 Didehydro N Acetylneuraminic Acid, 4-guanidino-2-deoxy-2,3-didehydro-N-acetylneuraminic acid, 2,3-didehydro-2,4-dideoxy-4-guanidinyl-N-acetylneuraminic acid, 4-guanidino-2,4-dideoxy-2,3-didehydro-N-acetylneuraminic acid, Acid, 4-Guanidino-2-Deoxy-2,3-Didehydro-N-Acetylneuraminic, 2,3-didehydro-2,4-dideoxy-4-guanidino-N-acetyl-D-neuraminic acid, 551942-41-7, 5-acetylamino-2,6-anhydro-4-guanidino-3,4,5-trideoxy-D-galacto-non-enoic acid, Bile acid carrier conjugated zanamivir (influenza virus infection, BAC technology), TSRL, (+)-(4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,2R)-1,2,3- trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid hydrate, (4S)-6alpha-((1R,2R)-1,2,3-Trihydroxypropyl)-5beta-(acetylamino)-4alpha-guanidino-5,6-dihydro-4H-pyran-2-carboxylic acid hydrate, 5-acetylamino-4-guanidino-6-(1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid, D-Glycero-D-galacto-non-2-enonic acid, 5-(acetylamino)-4-((aminoiminomethyl)amino)-2,6-anhydro-3,4,5-trideoxy-, hydrate, D-Glycero-D-galacto-non-2-enonic acid, 5-(acetylamino)-4-((aminoiminomethyl)amino)-2,6-anhydro-3,4,5-trideoxy-, hydrate (1:?), ZNV,

Complexity	518
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	332.133g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	332.313g/mol
Monoisotopic Mass	332.133g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	201A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number