4-Epi Doxycycline (>70%)

Analyte Name

4-Epi Doxycycline

CAS Number

6543-77-7

Molecular Formula

C22 H24 N2 O8

Molecular Weight

444.43

Accurate Mass

444.1533

Flash Point

0

SMILES

C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O

InChI

InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15+,17-,22-/m0/s1

IUPAC

(4R,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

29413000

Product Type

Impurity

Product Format

Neat

API Family

Doxycycline