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Substance Name: Oxytetracycline calcium
RN: 7179-50-2
UNII: M90SJ24J2X
InChIKey: QJHKFWPAQRFQBG-IFLJXUKPSA-L

Molecular Formula

  • C22-H24-N2-O9.Ca

Molecular Weight

  • 498.4988
 
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Names and Synonyms

Results Name

  • Oxytetracycline calcium

Name of Substance

  • Oxytetracycline monocalcium

Synonyms

  • EINECS 230-540-4
  • Oxytetracycline calcium
  • UNII-M90SJ24J2X

Systematic Names

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11, 12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calciium salt (1:1), (4S-(4alpha,4aalpha,5alpha,6beta,12aalpha))-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (1:1), (4S-(4-alpha,4a-alpha,5-alpha,5a-alpha,6-beta,12a-alpha))-
  • Oxytetracycline calcium

Superlist Name

  • Calcium oxytetracycline

Registry Numbers

CAS Registry Number

  • 7179-50-2

FDA UNII

  • M90SJ24J2X

Related Registry Number

  • 79-57-2 (Parent)

System Generated Number

  • 0007179502

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O9.Ca

Molecular Formula Fragments

  • C22-H24-N2-O9
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O9.Ca/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1

InChIKey

QJHKFWPAQRFQBG-IFLJXUKPSA-L

Smiles

C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)[O-])[O-])O.[Ca+2]