Chlortetracycline-13C-d3 Hydrochloride (Technical Grade)

Analyte Name

Chlortetracycline-13C-d3 Hydrochloride (Technical Grade)

Molecular Formula

C21 ¹³C H20 D3 Cl N2 O8 . H Cl

Molecular Weight

519.35

Accurate Mass

518.11

SMILES

OC1=CC=C(C2=C1C(C3=C([C@@](O)([C@]4(CC3[C@@]2(O)C)[H])C(C(C(N)=O)=C([C@H]4N([13C]([2H])([2H])[2H])C)O)=O)O)=O)Cl.Cl

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/i2+1D3;

IUPAC

(4S,4aS,6S,12aS)-7-chloro-3,6,10,12,12a-pentahydroxy-6-methyl-4-(methyl(methyl-13C-d3)amino)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

Alternate CAS Number

64-72-2

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat