Efficacy and Safety of Omadacycline

Nov 26, 2018
1.Omadacycline and intermediates
Omadacycline 389139-89-3  intermediate: 389140-04-9
Omadacycline 389139-89-3  intermediate: 488818-70-8
Omadacycline 389139-89-3  intermediate: 5813-64-9
Omadacycline 389139-89-3  intermediate: 118-29-6
Omadacycline 389139-89-3  intermediate: 835877-67-3
Omadacycline 389139-89-3  intermediate: 19532-98-0
Omadacycline 389139-89-3  intermediate: 835877-68-4
Omadacycline 389139-89-3  intermediate: 488820-34-4
Omadacycline 389139-89-3  intermediate: 630-19-3
Omadacycline 389139-89-3  intermediate: 5813-64-9
Omadacycline 389139-89-3  intermediate: 162150-89-2
Omadacycline 389139-89-3  intermediate: 541-88-8
Omadacycline 389139-89-3  intermediate: 1075240-46-8
Omadacycline 389139-89-3  intermediate: 1075240-41-3

2. ROS-~Omadacycline
(1)

(2)

(3)


3.
Name: Omadacycline
CAS#: 389139-89-3 (free base)
Chemical Formula: C29H40N4O7
Exact Mass: 556.2897
Molecular Weight: 556.66
Elemental Analysis: C, 62.57; H, 7.24; N, 10.07; O, 20.12

Synonym: PTK 0796; PTK-0796; PTK0796; Amadacyclin; Omadacycline

IUPAC/Chemical Name: (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

InChi Key: JEECQCWWSTZDCK-IQZGDKDPSA-N

InChi Code: 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

SMILES Code: O=C(C1=C(O)[C@@H](N(C)C)[C@@](C[C@@]2([H])C(C(C3=C(O)C(CNCC(C)(C)C)=CC(N(C)C)=C3C2)=O)=C4O)([H])[C@@]4(O)C1=O)N


 
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