chempirical

Gentamicin sulfate

C60H125N15O25SCAS 1405-41-01488.80 g/mol

Open in Covalent MOL file
OOOHOOHONHOHH2NNH2NH2H2NOOOHOOHONHOHH2NNH2NH2NHOHNHOOOHOONH2H2NH2NNH2OHOHSOOOH
AcetalAlcoholEtherPrimary amineSecondary amine

Properties

Molecular formula
C60H125N15O25S
Molar mass
1488.80 g/mol
Exact mass
1487.8692 Da
Melting point
218–237 °C
logP
-11.55Crippen estimate
Polar surface area
701.8 Ų
H-bond donors / acceptors
26 / 38
Rotatable bonds
19
Stereocentres
S, R, R, R, S, R, S, S, R, R, R, R, S, R, R, R, S, R, S, S, R, R, R, R, R, R, R, R, S, R, S, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
1405-41-0
SMILES
CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N.CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O.OS(=O)(=O)O
InChIKey
RDEIXVOBVLKYNT-VQBXQJRRSA-N
InChI
InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-;/m110./s1

Weigh it out

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

Names and synonyms

42 names · show all
  • Gentamicin, sulfate (salt)
  • Gentamycin, sulfate (salt)
  • Gentamycin sulfate
  • Urocydin
  • Gentamicin sulphate
  • Geramycin
  • Genticyn
  • Gentalin
  • Garamycin
  • Refobacin L
  • Refobacin 10
  • Refobacin
  • Sulmycin
  • Gentacin
  • Gentocin
  • Septopal
  • Alcomicin
  • Gentak
  • Nichogencin
  • Bristagen
  • Gent-ophtal
  • Gentibioptal
  • Garasol
  • Duragentam
  • Cidomycin
  • Gentamicin C complex sulfate
  • Genticin
  • Ophtagram
  • Gentrasul
  • Pangram
  • U-Gencin
  • Genoptic
  • Gentogram
  • Lugacin
  • Gentalyn
  • Dispagent
  • Gentamina
  • Gentacidin
  • Garasent
  • Genta swift
  • Intragen
  • Eltacin

Work with Gentamicin 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

Gentamicin1403-66-372 % similar Micronomicin sulfate66803-19-869 % similar Geneticin sulfate108321-42-258 % similar Isepamicin sulfate67814-76-056 % similar Sisomicin sulfate53179-09-255 % similar Netilmicin sulfate56391-57-248 % similar Sisomicin32385-11-846 % similar Kanamycin sulfate25389-94-039 % similar

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

Elsewhere

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