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Substance Name: Doxycycline calcium [USAN:USP]
RN: 94088-85-4
UNII: 8ZL07I20SB
InChIKey: IYECPECUTCOMMD-QFWOMMJSSA-N

Classification Codes

  • Antibacterial
  • Antiprotozoal

Molecular Formula

  • C22-H24-N2-O8.2Ca

Molecular Weight

  • 524.5936
 
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Names and Synonyms

Name of Substance

  • Doxycycline calcium [USAN:USP]

Synonyms

  • Doxycycline calcium
  • EINECS 302-088-9
  • UNII-8ZL07I20SB
  • Vibramycin
  • Vibramycin calcium

Systematic Name

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

Superlist Name

  • Doxycycline calcium (internal use)

Registry Numbers

CAS Registry Number

  • 94088-85-4

FDA UNII

  • 8ZL07I20SB

Related Registry Number

  • 564-25-0 (Parent)

System Generated Number

  • 0094088854

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.2Ca

Molecular Formula Fragments

  • C22-H24-N2-O8
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.2Ca/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;/q;2*+2/t7-,10+,14+,15-,17-,22-;;/m0../s1

InChIKey

IYECPECUTCOMMD-QFWOMMJSSA-N

Smiles

[Ca+2].[Ca+2].C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O