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Netilmicin Sulfate EP Impurity C

CAT: 1299-RM-N050903-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N050903-01Size:10 mg
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CAS Number
63721-52-8
Synonyms
4-O-[6-amino-2,3,4,6-tetradeoxy-2- (ethylamino) -α-Dglycero-hex-4-enopyranosyl]-2-deoxy-6-O-[3-deoxy-4- C-methyl-3- (methylamino) -β-L-arabinopyranosyl]-1-Nethyl-D-streptamine (2′-N-ethylnetilmicin) ; (2R,3R,4R,5R) -2- (((1S,2S,3R,4S,6R) -4-amino-3- (((2S,3R) -6- (aminomethyl) -3- (ethylamino) -3,4-dihydro-2H-pyran-2-yl) oxy) -6- (ethylamino) -2-hydroxycyclohexyl) oxy) -5-methyl-4- (methylamino) tetrahydro-2H-pyran-3,5-diol
Molecular Formula
C23H45N5O7
Molecular Weight
503.63
Target Alternative Name
Netilmicin
Product Name Synonym
4-O-[6-amino-2,3,4,6-tetradeoxy-2- (ethylamino) -α-Dglycero-hex-4-enopyranosyl]-2-deoxy-6-O-[3-deoxy-4- C-methyl-3- (methylamino) -β-L-arabinopyranosyl]-1-Nethyl-D-streptamine (2′-N-ethylnetilmicin) ; (2R,3R,4R,5R) -2- (((1S,2S,3R,4S,6R) -4-amino-3- (((2S,3R) -6- (aminomethyl) -3- (ethylamino) -3,4-dihydro-2H-pyran-2-yl) oxy) -6- (ethylamino) -2-hydroxycyclohexyl) oxy) -5-methyl-4- (methylamino) tetrahydro-2H-pyran-3,5-diol

Chemical Information

Netilmicin EP Impurity C
CAS Number63721-52-8
PubChem CID101649392
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-6-(aminomethyl)-3-(ethylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular FormulaC23H45N5O7
Molecular Weight503.6
XLogP-3.3
Topological Polar Surface Area186
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity703
SMILES
CCN[C@@H]1CC=C(O[C@@H]1O[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)NCC)N)CN
InChI
InChI=1S/C23H45N5O7/c1-5-27-14-8-7-12(10-24)33-21(14)34-18-13(25)9-15(28-6-2)19(16(18)29)35-22-17(30)20(26-4)23(3,31)11-32-22/h7,13-22,26-31H,5-6,8-11,24-25H2,1-4H3/t13-,14+,15+,16-,17+,18+,19-,20+,21+,22+,23-/m0/s1
InChIKey
JWKYPUZBLKYBRK-OXMUXZJXSA-N
Chemical Structure
2D Structure
2D structure of Netilmicin EP Impurity C
CAS: 63721-52-8
CID: 101649392
Formula: C23H45N5O7
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.6
XLogP3-3.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass503.33189879
Monoisotopic Mass503.33189879
Topological Polar Surface Area186 Ų
Heavy Atom Count35
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
N004-5MGNetilmicin sulfate
HY-A0086-01Netilmicin (sulfate)

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