AG00IMJA

56391-57-2 | Netilmicin sulfate(2:5)

AG00IMJA

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CAS Number	56391-57-2
Catalog Number	AG00IMJA(AGN-PC-0SLK2O)
Chemical Name	Netilmicin sulfate(2:5)
EC Number	260-147-3
IUPAC Name	(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
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
InChI Key	AGFWIZQEWFGATK-UNZHCMSXSA-N
MDL Number	MFCD26142629
Molecular Formula	C42H92N10O34S5
Molecular Weight	1441.5515
SMILES	O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](N)CC=C(CN)O3)[C@@H](N)C[C@H]2NCC)OC[C@@](O)(C)[C@@H]1NC.O[C@H]4[C@@H](O[C@@H]5[C@@H](O)[C@H](O[C@@H]6[C@H](N)CC=C(CN)O6)[C@@H](N)C[C@H]5NCC)OC[C@@](O)(C)[C@@H]4NC.O=S(O)(O)=O.O=S(O)(O)=O.O=S(O)(O)=O.O=S(O)(O)=O.O=S(O)(O)=O
UNII	S741ZJS97U
Synonyms	Certomycin, Nétromicine, Netillin, Netilmicin, Netilmicin Sulfate, Netrocin, Netromicina, Netromycin, Netromycine, Sch 20569, Sch-20569, Sch20569, NETILMICIN SULFATE, Netromycin, Certomycin, Netillin, 56391-57-2, Zetamicin, NTL sulfate, Sch-20569, Netilmicin sulfate salt, MFCD01311715, Sch 20569, UNII-S741ZJS97U, S741ZJS97U, EINECS 260-147-3, Netromicine, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->4))-2-deoxy-N(sup 1)-ethyl-, sulfate (2:5) (salt), D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(sup 1)-ethyl-, sulfate (2:5) (salt), d-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1.6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1.4))-2-deoxy-N1-ethyl-, sulfate (2:5) (salt), O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->6))-2-deoxy-N(sup 3)-ethyl-L-streptamine sulfate (2:5) (salt), O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-N(sup 3)-ethyl-L-streptamine sulfate (2:5) (salt), 1-N-ETHYLSISOMICIN SULFATE, netilmicin-sulfate, Netromycin (TN), Netilmycin Sulphate, AC1L1WIG, Netilmicin sulfate (JAN/USP), CHEBI:7529, 1-N-Ethylsisomicin sulfate salt, CHEMBL3989829, Netilmicin sulfate [USAN:JAN], Netilmicin sulfate [USAN:USP:JAN], 2C21H41N5O7.5H2O4S, AKOS026750009, AN-40140, LS-147006, N1108, D00867, 391N572, W-105519, Netilmicin sulfate, Antibiotic for Culture Media Use Only, (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-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol; sulfuric acid, (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, 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); pentakis(sulfuric acid), D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1 to 6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1 to 4)]-2-deoxy-N1-ethyl, sulfate (2:5), D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-2-deoxy-N(sup 1)-ethyl-, sulfate (2:5) (salt), D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1.fwdarw.6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1.fwdarw.4))-2-deoxy-N1-ethyl-, sulfate (2:5) (salt), O-3-Deoxy-4-C-methyl-3-(methylamino)-?-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-a-D-glycero-hex-4-enopyranosyl-(1-4)]-2-deoxy-N1-ethyl-D-streptamine sestersulfate, Nettacin, netilmicin, Netromicina, Netromycine, Netrocin, Netilmicinsulfate, Netilmicin Sulphate, 1-N-Ethylsisomicin, Sch20569, B1796, D009428, 56391-56-1, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N1-ethyl-,

Complexity	754
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	22
Defined Bond Stereocenter Count	0
Exact Mass	1440.438g/mol
Formal Charge	0
Heavy Atom Count	91
Hydrogen Bond Acceptor Count	44
Hydrogen Bond Donor Count	26
Isotope Atom Count	0
Molecular Weight	1441.534g/mol
Monoisotopic Mass	1440.438g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	814A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335-H350-H360
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number