4-epidemethylchlortetracycline (Q27294490)

(4R,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (English)

14 October 2016

1 reference

C₂₁H₂₁ClN₂O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O

1 reference

4-epidemethylchlortetracycline (English)

14 October 2016

isomeric SMILES

CN(C)[C@@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O

1 reference

4-epidemethylchlortetracycline (English)

InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14+,15-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

4-epidemethylchlortetracycline (English)

FMTDIUIBLCQGJB-PTACOPLGSA-N

14 October 2016

InChIKey

1 reference

4-epidemethylchlortetracycline (English)

14 October 2016

2 references

4-epidemethylchlortetracycline (English)

FMTDIUIBLCQGJB-PTACOPLGSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=14206-59-8

1 reference

(4R,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (English)

14 October 2016

1 reference

4-epidemethylchlortetracycline (English)