AG00HB58

108321-42-2 | G 418 Disulfate Salt

AG00HB58

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CAS Number	108321-42-2
Catalog Number	AG00HB58(AGN-PC-0OYBOC)
Chemical Name	G 418 Disulfate Salt
EC Number	600-864-4
IUPAC Name	(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
InChI	InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1
InChI Key	UHEPSJJJMTWUCP-NKCAIAFTSA-N
MDL Number	MFCD05664725
Molecular Formula	C20H44N4O18S2
Molecular Weight	692.7094
SMILES	O[C@@H]1[C@@H]([C@H](O)C)O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC)[C@@](C)(O)CO3)[C@H](N)C[C@@H]2N)[C@H](N)[C@H]1O.O=S(O)(O)=O.O=S(O)(O)=O
Synonyms	108321-42-2, G418 Disulfate, Geneticin disulfate, G 418 disulfate salt, Geneticin (G418 Sulfate), Antibiotic G418, G418 sulfate, MFCD00058314, G-418 Solution, G418 disulphate salt, Geneticin disulfate salt, G-418.Sulfate Solid, G418 disulfate (G001), G 418 disulfate salt solution, UHEPSJJJMTWUCP-NKCAIAFTSA-N, s3028, C20H40N4O10.2H2SO4, AS-19117, X4648, 21G422, A-8970, M01801, G 418 disulfate salt, plant cell culture tested, BioReagent, G 418 disulfate salt, potency: >=450 mug per mg (dried basis), G 418 disulfate salt, powder, BioReagent, suitable for cell culture, G 418 disulfate salt, Vetec(TM) reagent grade, potency: >=450 mug per mg (dried basis), G 418 disulfate salt solution, 50 mg/mL in H2O, sterile-filtered, BioReagent, suitable for cell culture, geneticin, G418 disulfate salt, for biochemistry - 1G 1g, 49863-47-0,

Complexity	763
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	0
Exact Mass	692.209g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	14
Isotope Atom Count	0
Molecular Weight	692.702g/mol
Monoisotopic Mass	692.209g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	414A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H335
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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