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Substance Name: Demeclocycline calcium
RN: 17146-81-5
UNII: SD6S4YY5HP
InChIKey: UXOZEKMTWNWUFI-IQDXIELBSA-L

Molecular Formula

  • 2C21-H20-Cl-N2-O8.Ca

Molecular Weight

  • 967.774
 
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Names and Synonyms

Name of Substance

  • Demeclocycline calcium

Synonyms

  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, calcium salt (2:1), (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • Calcium demethylchlortetracycline
  • Demeclocycline calcium
  • UNII-SD6S4YY5HP

Registry Numbers

CAS Registry Number

  • 17146-81-5

FDA UNII

  • SD6S4YY5HP

System Generated Number

  • 0017146815

Structure Descriptors

InChI

1S/2C21H21ClN2O8.Ca/c2*1-24(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;/h2*3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);/q;;+2/p-2/t2*6-,7-,14-,15-,21-;/m00./s1

InChIKey

UXOZEKMTWNWUFI-IQDXIELBSA-L

Smiles

CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)[O-])Cl)O.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)[O-])Cl)O.[Ca+2]