Neomycin

C₂₃H₄₆N₆O₁₃CAS 1404-04-2614.65 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine

Properties

Molecular formula: C₂₃H₄₆N₆O₁₃
Molar mass: 614.65 g/mol
Exact mass: 614.3123 Da
Melting point: 250 °C (decomposes)
pKa: 12.9
Water solubility: soluble
logP: -8.90Crippen estimate
Polar surface area: 353.1 Å²
H-bond donors / acceptors: 13 / 19
Rotatable bonds: 9
Stereocentres: R, S, R, R, S, R, R, R, S, R, S, R, S, R, R, R, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

1404-04-2

SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N

InChIKey

PGBHMTALBVVCIT-VCIWKGPPSA-N

InChI

InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Myacyne
Fradiomycin
Bycomycin
Jernadex
Vonamycin powder V
Neomin
Pimavecort
Neomas

Work with Neomycin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Neomycin sulfate1405-10-3Salt Neomycin B sulfate4146-30-9Salt

Similar compounds

Paromomycin sulfate1263-89-483 % similar Ribostamycin sulfate53797-35-675 % similar Kanamycin B4696-76-873 % similar Kanamycin A59-01-866 % similar Tobramycin32986-56-457 % similar Kanamycin sulfate25389-94-057 % similar 6-Monodeoxy-6-monoamino-beta-cyclodextrine29390-67-854 % similar Chitosan oligosaccharide lactate148411-57-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook