4-epi-Chlortetracycline Hydrochloride (>90% by HPLC)

Analyte Name

4-epi-Chlortetracycline Hydrochloride

CAS Number

101342-45-4

Molecular Formula

C22 H23 Cl N2 O8 . Cl H

Molecular Weight

515.34

Accurate Mass

514.091

SMILES

Cl.CN(C)[C@@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O

InChI

InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1

IUPAC

(4R,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

Alternate CAS Number

Free base: 14297-93-9

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Tetracycline Hydrochloride; Chlortetracycline