4-Epianhydrochlortetracycline Hydrochloride

Analyte Name

4-Epianhydrochlortetracycline hydrochloride

CAS Number

158018-53-2

Molecular Formula

C22 H21 Cl N2 O7 . Cl H

Molecular Weight

497.33

Accurate Mass

496.0804

SMILES

Cl.CN(C)[C@@H]1[C@@H]2CC3=C(C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N

InChI

InChI=1S/C22H21ClN2O7.ClH/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14, /h4-5,9,16,26,28-29,32H,6H2,1-3H3,(H2,24,31), 1H/t9-,16+,22-, /m0./s1

IUPAC

(4R,4aS,12aS)-7-chloro-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-6-methyl-1,11-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride

Alternate CAS Number

Free base: 81163-11-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Chlortetracycline

Purity

>95% (HPLC)