Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Doxycycline fosfatex [USAN:BAN]
RN: 83038-87-3
UNII: 2IQ26U2DZQ
InChIKey: QIQLSEYJTHQCRU-JJBWZFNDSA-N

Classification Code

  • Antibacterial

Molecular Weight

  • 1676.2184
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Doxycycline fosfatex [USAN:BAN]

Synonyms

  • (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, compound with sodium trihydrogen metaphosphate (H3NaP4O12) (3:1)
  • 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))-, compound with metaphosphoric acid (H4P4O12) monosodium salt (3:1)
  • AB08
  • DMSC
  • Doxycycline fosfatex
  • UNII-2IQ26U2DZQ

Registry Numbers

CAS Registry Number

  • 83038-87-3

FDA UNII

  • 2IQ26U2DZQ

System Generated Number

  • 0083038873

Structure Descriptors

InChI

1S/3C22H24N2O8.Na.H4O12P4/c3*1-7-8-5-4-6-9(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;;1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h3*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;(H,1,2)(H,3,4)(H,5,6)(H,7,8)/q;;;+1;/t3*7-,10+,14+,15-,17-,22-;;/m000../s1

InChIKey

QIQLSEYJTHQCRU-JJBWZFNDSA-N

Smiles

[Na+].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.C[C@@H]5[C@H]6[C@H](O)[C@H]7[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]7(O)C(=C6C(=O)c8c(O)cccc58)O)O.C[C@@H]9[C@H]%10[C@H](O)[C@H]%11[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]%11(O)C(=C%10C(=O)c%12c(O)cccc9%12)O)O.OP%13(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O%13