Zanamivir

C₁₂H₂₀N₄O₇CAS 139110-80-8332.31 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ether Guanidine

Properties

Molecular formula: C₁₂H₂₀N₄O₇
Molar mass: 332.31 g/mol
Exact mass: 332.1332 Da
Melting point: 253–255 °C
Water solubility: 18 g/L (25 °C)
logP: -2.74Crippen estimate
Polar surface area: 201.7 Å²
H-bond donors / acceptors: 8 / 7
Rotatable bonds: 6
Stereocentres: R, R, R, R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

139110-80-8

SMILES

CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N

InChIKey

ARAIBEBZBOPLMB-UFGQHTETSA-N

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

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Names and synonyms

15 names · show all

D-Glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-
5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid
4-Guanidino-Neu5Ac2en
GG 167
GR 121167X
GANA
GANA (inhibitor)
4-Guanidino-2,4-dideoxy-2,3-dehydro-N-acetylneuraminic acid
Relenza
Zanamir
5-Acetamido-4-guanidino-2,3,4,5-tetradeoxy-D-glycero-D-galacto-non-2-enopyranosonic acid
(2R,3R,4S)-4-Guanidino-3-(prop-1-en-2-ylamino)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Zanamvir
Zanamiwei
Dectova

Work with Zanamivir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetylneuraminic acid131-48-645 % similar Peramivir229614-55-541 % similar Peramivir330600-85-641 % similar N-Acetylmuramic acid10597-89-440 % similar Peramivir trihydrate1041434-82-540 % similar N-Acetylgalactosamine1811-31-038 % similar N-Acetyl-β-neuraminic acid methyl ester monohydrate50998-13-538 % similar N-Acetylglucosamine7512-17-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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