Neomycin sulfate

C₂₃H₄₈N₆O₁₇SCAS 1405-10-3712.72 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine

Properties

Molecular formula: C₂₃H₄₈N₆O₁₇S
Molar mass: 712.72 g/mol
Exact mass: 712.2797 Da
logP: -9.55Crippen estimate
Polar surface area: 427.7 Å²
H-bond donors / acceptors: 15 / 21
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

H317 May cause an allergic skin reaction95.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled40.1% of notifiers
H335 May cause respiratory irritation46.2% of notifiers
H361 Suspected of damaging fertility or the unborn child21.8% of notifiers
H412 Harmful to aquatic life with long lasting effects10.5% of notifiers

Aggregated from 372 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1405-10-3

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.OS(=O)(=O)O

InChIKey

OIXVKQDWLFHVGR-WQDIDPJDSA-N

InChI

InChI=1S/C23H46N6O13.H2O4S/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;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1

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Names and synonyms

24 names · show all

Neomycin, sulfate (salt)
Lidamycin creme
Mycifradin N
Myciguent
neo-Mantle creme
Neomycin sulphate
Otobiotic
Quintess-N
Neolate
Neomix
Fradiomycin sulfate
Neofracin
Bykomycin
Mycerin sulfate
Mycifradin
New france F
Neobrettin
Endomixin
Neosulf
Nivemycin
Myacine
Biosol
Tuttomycin
neo-Rx

Work with Neomycin sulfate

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.

Neomycin1404-04-2Free base Neomycin B sulfate4146-30-9

Similar compounds

Paromomycin sulfate1263-89-498 % similar Ribostamycin sulfate53797-35-691 % similar Kanamycin sulfate25389-94-071 % similar Kanamycin B4696-76-863 % similar Tobramycin sulfate49842-07-163 % similar Tobramycin sulfate79645-27-563 % similar Kanamycin A59-01-857 % similar Amikacin sulfate39831-55-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook