Demeclocycline D6

Product Name Demeclocycline D6
Alternate Names Demeclocycline Stable Isotopes, Stable Isotopes of Demeclocycline
CAT No. CS-O-16661
CAS No. 127-33-3(Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 470.14 g/mol
Mol. For. C21H15D6ClN2O8
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Demeclocycline
Smileys O[C@@](C(O)=C(C(C1=C2C(Cl)=CC=C1O)=O)[C@]([C@@H]2O)([H])C3)(C(C(C(N)=O)=C4O)=O)[C@]3([H])[C@@H]4N(C([2H])([2H])[2H])C([2H])([2H])[2H]
Canonical Smiles CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O
InchIKey GUXHBMASAHGULD-SEYHBJAFSA-N
Inchl InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1
IUPAC (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Controlled No
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