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Vancomycin Impurity J

CAT: 1459-CS-O-43066Size: 1 EachDry Ice: NoHazardous: No
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Description
Vancomycin Impurity J is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Vancomycin. The product is supplied by Clearsynth under CAT No. CS-O-43066. 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
2416251-24-4
Synonyms
Vancomycin Impurity J
Molecular Formula
C 66 H 75 Cl 2 N 9 O 24
Molecular Weight
1449.25
Additionnal Information
Vancomycin Impurity J is supplied with detailed characterization data compliant with regulatory guideline. Vancomycin Impurity J 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 Vancomycin.
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

Vancomycin EP Impurity J
CAS Number2416251-24-4
PubChem CID6917992
IUPAC Name(1S,2R,18R,19R,22S,25R,28R,40R)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Molecular FormulaC66H75Cl2N9O24
Molecular Weight1449.2
XLogP-2.6
Topological Polar Surface Area530
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Heavy Atom Count101
Formal Charge0
Complexity2960
SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
InChI
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
InChIKey
MYPYJXKWCTUITO-JTFZNGFOSA-N
Chemical Structure
2D Structure
2D structure of Vancomycin EP Impurity J
CAS: 2416251-24-4
CID: 6917992
Formula: C66H75Cl2N9O24
MW: 1449.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1449.2
XLogP3-2.6
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Exact Mass1447.4301997
Monoisotopic Mass1447.4301997
Topological Polar Surface Area530 Ų
Heavy Atom Count101
Formal Charge0
Complexity2960
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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