Tobramycin sulfate

C18H39N5O13SCAS 49842-07-1565.59 g/mol

Open in Covalent MOL file
NH2OOHOOOOHOHNH2HONH2H2NH2NHOOSOOHHO
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C18H39N5O13S
Molar mass
565.59 g/mol
Exact mass
565.2265 Da
logP
-6.95Crippen estimate
Polar surface area
342.8 Ų
H-bond donors / acceptors
12 / 16
Rotatable bonds
6
Stereocentres
R, R, R, S, S, S, R, S, S, R, R, S, R, Sin 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
49842-07-1
SMILES
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=S(=O)(O)O
InChIKey
ZEUUPKVZFKBXPW-TWDWGCDDSA-N
InChI
InChI=1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1

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Names and synonyms

12 names
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-, sulfate (2:5)
  • D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1→6)-O-[2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-, sulfate (2:5) (salt)
  • Nebcin
  • Tenemicin
  • Obracin
  • 1-Epitobramycin sulfate
  • Gernebcin
  • Distobram
  • Tobi
  • Nebicina
  • Tobra
  • Tobrate

Work with Tobramycin 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.

Tobramycin32986-56-4Free base Tobramycin sulfate79645-27-5

Similar compounds

Kanamycin sulfate25389-94-085 % similar Kanamycin A59-01-870 % similar Ribostamycin sulfate53797-35-669 % similar Kanamycin B4696-76-867 % similar Paromomycin sulfate1263-89-465 % similar Neomycin sulfate1405-10-363 % similar Neomycin B sulfate4146-30-963 % similar Amikacin sulfate salt149022-22-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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