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Product Overview

Product Code

TRC-N521000

CAS Number

5679-01-6

Product Format

Neat

Molecular Formula

C21H23N3O13S

Molecular Weight

557.48

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

7-Nitrosancycline Monosulfate

CAS Number

5679-01-6

Molecular Formula

C21H23N3O13S

Molecular Weight

557.48

Accurate Mass

557.0952

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)c(O)ccc4[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C21H21N3O9.H2O4S/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30;1-5(2,3)4/h3-4,7,9,15,25,27-28,31H,5-6H2,1-2H3,(H2,22,30);(H2,1,2,3,4)/t7-,9-,15-,21-;/m0./s1

IUPAC

(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-nitro-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;sulfuric acid

Product Data

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the preparation of active 7-Amino-tetracyclines.

References: Lukovits, I., et al.: J. Med. Chem., 26, 1104 (1983),

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