Tigecycline

C29H39N5O8CAS 220620-09-7585.66 g/mol

Open in Covalent MOL file
NHNONHHONOHNH2OOHOHOO
AlcoholAlkeneKetonePhenolSecondary amineTertiary amine

Properties

Molecular formula
C29H39N5O8
Molar mass
585.66 g/mol
Exact mass
585.2799 Da
logP
2.21Crippen estimate
Polar surface area
210.2 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
6
Stereocentres
R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
220620-09-7
SMILES
CN(C)c1cc(N=C(O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=N)O)C(=O)[C@@]3(O)C(O)=C1C2=O
InChIKey
FPZLLRFZJZRHSY-HJYUBDRYSA-N
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/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[2-[(1,1-dimethylethyl)amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[[(1,1-dimethylethyl)amino]acetyl]amino]-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-[(1,1-dimethylethyl)amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
  • GAR 936
  • WAY-GAR 936
  • Glycylcycline
  • Tygacil

Work with Tigecycline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Minocycline10118-90-866 % similar Minocycline hydrochloride13614-98-764 % similar Sancycline808-26-456 % similar (-)-Tetracycline60-54-848 % similar Chlortetracycline57-62-547 % similar (-)-Tetracycline hydrochloride64-75-547 % similar Chlortetracycline hydrochloride64-72-245 % similar Demeclocycline hydrochloride64-73-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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