Netilmicin sulfate salt

CAT: 0862-GA1999-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0862-GA1999-1gSize:1 g

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CAS Number

56391-57-2

EC Number

260-147-3

MDL Number

MFCD01311715

HS Code

29419000

Purity

595.00μg/mg

Molecular Formula

C21H41N5O7 · 5/2H2SO4

Molecular Weight

1441.5

Storage Conditions

+4°C

Hazardous Class

Not hazardous

Chemical Information

Netilmicin Sulfate

Netilmicin Sulfate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	56391-57-2
PubChem CID	62115
IUPAC Name	bis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid
Molecular Formula	C42H92N10O34S5
Molecular Weight	1441.6
Topological Polar Surface Area	814
Hydrogen Bond Donor Count	26
Hydrogen Bond Acceptor Count	44
Rotatable Bond Count	16
Heavy Atom Count	91
Formal Charge	0
Complexity	754

SMILES

CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(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;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1

InChIKey

AGFWIZQEWFGATK-UNZHCMSXSA-N

Chemical Structure

2D Structure

CAS: 56391-57-2

CID: 62115

Formula: C42H92N10O34S5

MW: 1441.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1441.6
Hydrogen Bond Donor Count	26
Hydrogen Bond Acceptor Count	44
Rotatable Bond Count	16
Exact Mass	1440.4380959
Monoisotopic Mass	1440.4380959
Topological Polar Surface Area	814 Å²
Heavy Atom Count	91
Formal Charge	0
Complexity	754
Isotope Atom Count	0
Defined Atom Stereocenter Count	22
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	7
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
N004-5MG	Netilmicin sulfate
HY-A0086-01	Netilmicin (sulfate)

Netilmicin sulfate salt

Chemical Information

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