Omadacycline hydrochloride
[CAS# 1196800-39-1]

Identification

• Name: Omadacycline hydrochloride
• Synonyms: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; hydrochloride; Omadacycline (hydrochloride)
• Molecular Formula: C₂₉H₄₀N₄O₇.HCl
• Molecular Weight: 593.11
• CAS Registry Number: 1196800-39-1
• SMILES: CC(C)(C)CNCC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C.Cl
• InChI: 1S/C29H40N4O7.ClH/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;/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39);1H/t13-,16-,21-,29-;/m0./s1
• InChIKey: XFPTUHUKKFUSNF-XGLFQKEBSA-N

Properties

• solubility: DMSO