Analyte Name

Anhydrodemeclocycline

CAS Number

22688-73-9

Molecular Formula

C21 H19 Cl N2 O7

Molecular Weight

446.838

Accurate Mass

446.088

SMILES

CN(C)[C@H]1[C@@H]2Cc3cc4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1O)C(=O)N

InChI

InChI=1S/C21H19ClN2O7/c1-24(2)15-9-6-7-5-8-10(22)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(23)30/h3-5,9,15,25-27,31H,6H2,1-2H3,(H2,23,30)/t9-,15-,21-/m0/s1

IUPAC

(4S,4aS,12aS)-7-chloro-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat