Analyte Name

Doxycycline Hyclate

CAS Number

24390-14-5

Molecular Formula

2 C22 H24 N2 O8 . C2 H6 O . 2 Cl H . H2 O

Molecular Weight

1025.87

Accurate Mass

1024.3123

SMILES

O.Cl.Cl.CCO.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.C[C@@H]5[C@H]6[C@H](O)[C@H]7[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]7(O)C(=C6C(=O)c8c(O)cccc58)O)O

InChI

InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(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;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1

IUPAC

(4S,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;ethanol;hydrate;dihydrochloride

Alternate CAS Number

Anhydrous: 564-25-0

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Tariff Code

29413000

Product Format

Neat