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Substance Name: Demeclocycline sesquihydrate
RN: 13215-10-6
UNII: I62U5H447L
InChIKey: GCKOPPNKZABNEH-HZIPRYSESA-N

Molecular Weight

  • 983.7562
 
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Names and Synonyms

Name of Substance

  • Demeclocycline sesquihydrate

Synonyms

  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, hydrate (2:3)
  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, hydrate (2:3), (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • Declomycin 1.5 hydrate
  • Demeclocycline sesquihydrate
  • Demeclocycline sesquihydrate [MI]
  • UNII-I62U5H447L

Registry Numbers

CAS Registry Number

  • 13215-10-6

FDA UNII

  • I62U5H447L

System Generated Number

  • 0013215106

Structure Descriptors

InChI

1S/2C21H21ClN2O8.3H2O/c2*1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;;;/h2*3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);3*1H2/t2*6-,7-,14-,15-,21-;;;/m00.../s1

InChIKey

GCKOPPNKZABNEH-HZIPRYSESA-N

Smiles

O.O.O.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N.CN(C)[C@H]5[C@@H]6C[C@@H]7[C@H](O)c8c(Cl)ccc(O)c8C(=O)C7=C(O)[C@]6(O)C(=O)C(=C5O)C(=O)N