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Tigecycline-[d9]

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General Information
Catalog: BLP-008154
Molecular Formula: C29H30D9N5O8
Molecular Weight: 594.72

Chemical Structure

Description	One of the isotopic labelled form of Tigecycline, which has been found to be effective for the treatment of community as well as hospital-acquired and ventilator-associated pneumonia and bacteremia, sepsis with shock and urinary tract infections.
Synonyms	(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-(2-{[2-(D3)methyl(1,1,1,3,3,3-D6)propan-2-yl]amino}acetamido)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC Name	(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]acetyl]amino]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Related CAS	220620-09-7 (unlabelled)
Canonical SMILES	CC(C)(C)NCC(=O)NC1=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
InChI	InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1/i1D3,2D3,3D3
InChI Key	SOVUOXKZCCAWOJ-LCXUVLLNSA-N