Omadacycline

CAS Registry Number®

389139-89-3

CAS Name

Omadacycline

Molecular Formula

C29H40N4O7

Molecular Mass

556.65

Cite this Page

Omadacycline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=389139-89-3 (retrieved 2024-11-22) (CAS RN: 389139-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=JEECQCWWSTZDCK-IQZGDKDPSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(CNCC(C)(C)C)C4O)[H])[H]

Canonical SMILES

O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C4=C(O)C(=CC(=C4CC3CC2C(C1O)N(C)C)N(C)C)CNCC(C)(C)C

Other Names for this Substance

  • 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)-
  • (4S,4aS,5aR,12aS)-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-2-naphthacenecarboxamide
  • PTK 0796
  • Omadacycline
  • Amadacycline

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration