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Cefiderocol Impurity 5

CAT: 1299-RM-C325505-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C325505-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137171-77-8
Synonyms
4-methoxybenzyl (6R,7R) -7- ((Z) -2- (((1- (tert-butoxy) -2-methyl-1-oxopropan-2-yl) oxy) imino) -2- (2- ((tert-butoxycarbonyl) amino) thiazol-4-yl) acetamido) -3- (chloromethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C34H42ClN5O10S2
Molecular Weight
780.31
Target Alternative Name
Cefiderocol

Chemical Information

Pyrrolidine chlorobenzamide
CAS Number137171-77-8
PubChem CID118402848
IUPAC Name2-chloro-3,4-dihydroxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74
XLogP1.6
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity310
SMILES
C1CCN(C1)CCNC(=O)C2=C(C(=C(C=C2)O)O)Cl
InChI
InChI=1S/C13H17ClN2O3/c14-11-9(3-4-10(17)12(11)18)13(19)15-5-8-16-6-1-2-7-16/h3-4,17-18H,1-2,5-8H2,(H,15,19)
InChIKey
NDJAJLKLDSMLNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolidine chlorobenzamide
CAS: 137171-77-8
CID: 118402848
Formula: C13H17ClN2O3
MW: 284.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.74
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass284.0927701
Monoisotopic Mass284.0927701
Topological Polar Surface Area72.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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