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Erythromycin-[d6]

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General Information
Catalog: BLP-005337
CAS: 959119-25-6
Molecular Formula: C37H61D6NO13
Molecular Weight: 739.96

Chemical Structure

Description	Erythromycin-[d6] is the labelled analogue of Erythromycin. Erythromycin is an antibiotic used for the treatment of a number of bacterial infections.
Synonyms	E-Base-d6; E-Mycin-d6; Erytromycin A-d6; Aknemycin-d6; Aknin-d6; Eemgel-d6; Erythromycin D6
IUPAC Name	(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[bis(trideuteriomethyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Related CAS	114-07-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N([C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)O)C)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C)C([2H])([2H])[2H]
Canonical SMILES	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1/i11D3,12D3
InChI Key	ULGZDMOVFRHVEP-MECBHOFCSA-N
Melting Point	>135°C (dec.)
Purity	95% by CP; 98% atom D
Solubility	Soluble in Chloroform, Ethanol, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C