Netilmicin sulfate

C21H43N5O11SCAS 56391-57-2573.66 g/mol

Open in Covalent MOL file
HNNH2OONH2NH2OHOOHONHOHOSOOHHO
AcetalAlcoholAlkeneEtherPrimary amineSecondary amine

Properties

Molecular formula
C21H43N5O11S
Molar mass
573.66 g/mol
Exact mass
573.2680 Da
logP
-3.85Crippen estimate
Polar surface area
274.3 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
8
Stereocentres
R, S, R, S, R, S, S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
56391-57-2
SMILES
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O
InChIKey
PQHZSWZPVGHDEZ-UIQTUGNFSA-N
InChI
InChI=1S/C21H41N5O7.H2O4S/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;1-5(2,3)4/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;(H2,1,2,3,4)/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;/m1./s1

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

Names and synonyms

11 names
  • D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-glycero-hex-4-enopyranosyl-(1→4)]-2-deoxy-N1-ethyl-, sulfate (2:5)
  • D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-α-D-glycero-hex-4-enopyranosyl-(1→4)]-2-deoxy-N1-ethyl-, sulfate (2:5) (salt)
  • Netillin
  • Certomycin
  • Vectacin
  • Zetamicin
  • Netilyn
  • Nettacin
  • Netromicine
  • Naitimixing
  • Netiline

Work with Netilmicin 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

Similar compounds

Sisomicin sulfate53179-09-285 % similar Sisomicin32385-11-874 % similar Geneticin sulfate108321-42-255 % similar Micronomicin sulfate66803-19-854 % similar Isepamicin sulfate67814-76-052 % similar Gentamicin sulfate1405-41-048 % similar Gentamicin1403-66-345 % similar Apramycin sulfate65710-07-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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