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Substance Name: Doxycycline monohydrate
RN: 17086-28-1
UNII: N12000U13O
InChIKey: XQTWDDCIUJNLTR-CVHRZJFOSA-N

Note

  • A synthetic tetracycline derivative with similar antimicrobial activity.

Molecular Formula

  • C22-H24-N2-O8.H2-O

Molecular Weight

  • 462.4524
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibacterial
  • Antimalarials
  • Antiparasitic Agents
  • Antiprotozoal Agents

Names and Synonyms

Results Name

  • Doxycycline monohydrate

Name of Substance

  • Doxycycline
  • Doxycycline monohydrate
  • Doxycycline [USAN:USP:INN:BAN]

MeSH Heading

  • Doxycycline

Synonyms

  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrate
  • Adoxa
  • Adoxa pak
  • Doxycycline
  • Doxycycline monohydrate
  • GS-3065
  • Monodox
  • Oracea
  • UNII-N12000U13O
  • Vibramycin

Systematic Names

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-, monohydrate
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrate, (4S,4aR,5S,5aR,6R,12aS)-

Superlist Name

  • Doxycycline monohydrate (internal use)

Registry Numbers

CAS Registry Number

  • 17086-28-1

FDA UNII

  • N12000U13O

Related Registry Number

  • 564-25-0 (Parent)

System Generated Number

  • 0017086281

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.H2-O

Molecular Formula Fragments

  • C22-H24-N2-O8
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/C22H24N2O8.H2O/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);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1

InChIKey

XQTWDDCIUJNLTR-CVHRZJFOSA-N

Smiles

O.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