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Zifanocycline

CAT: 0013-GTR19221470-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221470-01Size:5 mg
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Description
Zifanocycline (KBP-7072) is a third-generation aminomethylcycline antibiotic that acts by inhibiting the bacterial ribosome. It exhibits potent in vitro and in vivo activity against a broad spectrum of multidrug-resistant Gram-positive and Gram-negative pathogens, supporting research in skin infections, pneumonia, and intra-abdominal infections.
CAS Number
1420294-56-9
Field of Research
Infectious Disease & Virology
Smiles
[H][C@@]12Cc3c (cc (CN4CC5CC5C4) c (O) c3C (=O) C1=C (O) [C@]1 (O) C (=O) C (C (N) =O) =C (O) [C@@H] (N (C) C) [C@]1 ([H]) C2) N (C) C
Molecular Formula
C29H36N4O7
Molecular Weight
552.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zifanocycline
CAS Number1420294-56-9
PubChem CID71243332
IUPAC Name(4S,4aS,5aR,12aR)-9-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC29H36N4O7
Molecular Weight552.6
XLogP1.6
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity1200
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)CN5CC6CC6C5)N(C)C
InChI
InChI=1S/C29H36N4O7/c1-31(2)18-8-15(11-33-9-13-5-14(13)10-33)23(34)20-16(18)6-12-7-17-22(32(3)4)25(36)21(28(30)39)27(38)29(17,40)26(37)19(12)24(20)35/h8,12-14,17,22,34-35,38,40H,5-7,9-11H2,1-4H3,(H2,30,39)/t12-,13?,14?,17-,22-,29-/m0/s1
InChIKey
LBKXOQRVWDAQSX-OMBSCLNISA-N
Chemical Structure
2D Structure
2D structure of Zifanocycline
CAS: 1420294-56-9
CID: 71243332
Formula: C29H36N4O7
MW: 552.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.6
XLogP31.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass552.25839950
Monoisotopic Mass552.25839950
Topological Polar Surface Area168 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-139554Zifanocycline
HY-139554A-01Zifanocycline (TFA)
T80731-01Zifanocycline TFA
HY-139554ARZifanocycline (TFA) (Standard)

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