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Chemical structure of Tigecycline-d9

GC40240

Tigecycline-d9

Also known as (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

Tigecycline-d9 is intended for use as an internal standard for the quantification of tigecycline by GC- or LC-MS

ChemicalCAS2699607-86-6MW594.7FormulaC29H30D9N5O8
CAS number
2699607-86-6
Molecular weight
594.7
Formula
C29H30D9N5O8
Solubility
DMSO： Slightly Soluble,Methanol： Slightly Soluble,Water： Slightly Soluble
InChIKey
SOVUOXKZCCAWOJ-LCXUVLLNSA-N
Catalogue number
GC40240
Brand
GLPBIO
Computed properties PubChem CID 119081667 · XLogP 1.1 · TPSA 206 Ų · H-bond donors 7
XLogP
1.1
TPSA
206 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
42

SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C

Computed descriptors from PubChem (CID 119081667), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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