Products for Research Use Only

N-Desmethyl Omadacycline

CAT: 1459-CS-O-45248Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Desmethyl Omadacycline is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Omadacycline. The product is supplied by Clearsynth under CAT No. CS-O-45248. 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
2272886-38-9
Synonyms
N-Desmethyl Omadacycline
Molecular Formula
C 28 H 38 N 4 O 7
Molecular Weight
542.6
Additionnal Information
N-Desmethyl Omadacycline is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl Omadacycline 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 Omadacycline.
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 complete information.

Chemical Information

Omacycline 7-desmethyl impurity
CAS Number2272886-38-9
PubChem CID175675506
IUPAC Name(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-7-(methylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC28H38N4O7
Molecular Weight542.6
XLogP2.8
Topological Polar Surface Area185
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1110
SMILES
CC(C)(C)CNCC1=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)NC
InChI
InChI=1S/C28H38N4O7/c1-27(2,3)11-31-10-13-9-16(30-4)14-7-12-8-15-20(32(5)6)23(35)19(26(29)38)25(37)28(15,39)24(36)17(12)22(34)18(14)21(13)33/h9,12,15,20,30-31,33-34,37,39H,7-8,10-11H2,1-6H3,(H2,29,38)/t12-,15-,20-,28-/m0/s1
InChIKey
OPQUHWFVNNLPNE-ZSNWDDTMSA-N
Chemical Structure
2D Structure
2D structure of Omacycline 7-desmethyl impurity
CAS: 2272886-38-9
CID: 175675506
Formula: C28H38N4O7
MW: 542.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight542.6
XLogP32.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass542.27404956
Monoisotopic Mass542.27404956
Topological Polar Surface Area185 Ų
Heavy Atom Count39
Formal Charge0
Complexity1110
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