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Substance Name: Doxycycline hydrochloride dihydrate
RN: 69935-17-7
InChIKey: NEONZQNBZAXZDN-WBYAVNBMSA-N

Molecular Weight

  • 516.9281
 
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Names and Synonyms

Results Name

  • Doxycycline hydrochloride dihydrate

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 monohydrochloride, dihydrate, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-
  • Doxycycline hydrochloride dihydrate

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-, monohydrochloride, dihydrate, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-

Registry Numbers

CAS Registry Number

  • 69935-17-7

Related Registry Number

  • 564-25-0 (Parent)

System Generated Number

  • 0069935177

Structure Descriptors

InChI

1S/C22H24N2O8.ClH.2H2O/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);1H;2*1H2/t7-,10+,14+,15-,17-,22-;;;/m0.../s1

InChIKey

NEONZQNBZAXZDN-WBYAVNBMSA-N

Smiles

O.O.Cl.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