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Tigecycline 25mg

CAT: 0628-A10933-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A10933-25Size:25 mg
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CAS Number
220620-09-7

Chemical Information

Tigecycline

Tigecycline is tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. It has a role as an antibacterial drug. It is a tertiary alpha-hydroxy ketone and a member of tetracyclines. It is a conjugate base of a tigecycline(1+).

CAS Number220620-09-7
PubChem CID54686904
IUPAC Name(4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC29H39N5O8
Molecular Weight585.6
XLogP1.1
Topological Polar Surface Area206
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1240
SMILES
CC(C)(C)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
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
InChIKey
SOVUOXKZCCAWOJ-HJYUBDRYSA-N
Chemical Structure
2D Structure
2D structure of Tigecycline
CAS: 220620-09-7
CID: 54686904
Formula: C29H39N5O8
MW: 585.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP31.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass585.27986322
Monoisotopic Mass585.27986322
Topological Polar Surface Area206 Ų
Heavy Atom Count42
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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