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Substance Name: Omadacycline [USAN:INN]
RN: 389139-89-3
UNII: 090IP5RV8F
InChIKey: JEECQCWWSTZDCK-IQZGDKDPSA-N

Note

  • Demonstrated in vitro activity against a broad range of Gram-positive and select Gram-negative pathogens.

Molecular Formula

  • C29-H40-N4-O7

Molecular Weight

  • 556.656
 

Classification Code

  • Antibiotic
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Names and Synonyms

Name of Substance

  • Omadacycline [USAN:INN]

Synonyms

  • (4S,4aS,5aR,12aS)-4,7-bis(Dimethylamino)-9-(((2,2-dimethylpropyl)amino)methyl)- 3,10,12,12a- tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide
  • Amadacycline
  • Omadacycline
  • PTK 0796
  • UNII-090IP5RV8F

Systematic Name

  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-(((2,2- dimethylpropyl)amino)methyl)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a- tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-

Registry Numbers

CAS Registry Number

  • 389139-89-3

FDA UNII

  • 090IP5RV8F

System Generated Number

  • 0389139893

Structure Descriptors

InChI

1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1

InChIKey

JEECQCWWSTZDCK-IQZGDKDPSA-N

Smiles

CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C