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Tigecycline (open C-ring D-ring) Quinone

CAT: 1459-CS-T-62073Size: 1 EachDry Ice: NoHazardous: No
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Description
Tigecycline (open C-ring D-ring) Quinone is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tigecycline. The product is supplied by Clearsynth under CAT No. CS-T-62073. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1268494-46-7
Synonyms
Tigecycline (open C-ring D-ring) Quinone
Molecular Formula
C 26 H 32 N 4 O 8
Molecular Weight
528.55
Additionnal Information
Tigecycline (open C-ring D-ring) Quinone is supplied with detailed characterization data compliant with regulatory guideline. Tigecycline (open C-ring D-ring) Quinone can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Tigecycline.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Tigecycline (open C-ring D-ring) Quinone
CAS Number1268494-46-7
PubChem CID54738039
IUPAC Name4-[[(2S)-6-[[2-(tert-butylamino)acetyl]amino]-8-(dimethylamino)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1-carboxamide
Molecular FormulaC26H32N4O8
Molecular Weight528.6
XLogP2
Topological Polar Surface Area199
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1100
SMILES
CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H](CC(=O)C2=C1O)CC3=C(C(=O)C(=C(C3=O)O)C(=O)N)O)N(C)C
InChI
InChI=1S/C26H32N4O8/c1-26(2,3)28-10-17(32)29-14-9-15(30(4)5)12-6-11(8-16(31)18(12)22(14)35)7-13-20(33)23(36)19(25(27)38)24(37)21(13)34/h9,11,28,33,35,37H,6-8,10H2,1-5H3,(H2,27,38)(H,29,32)/t11-/m0/s1
InChIKey
YHJHYYJWUGHMDY-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Tigecycline (open C-ring D-ring) Quinone
CAS: 1268494-46-7
CID: 54738039
Formula: C26H32N4O8
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP32
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass528.22201399
Monoisotopic Mass528.22201399
Topological Polar Surface Area199 Ų
Heavy Atom Count38
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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