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Cefazolin impurity H

CAT: 0804-HY-Z7555-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z7555-01Size:1 mg
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Description
Cefazolin impurity H is an impurity during the preparations of Cefazolin (an antibiotic).
CAS Number
56842-77-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Infection
Smiles
OC(C1=C(C)CS[C@@]([C@@H]2NC(CN3C=NN=N3)=O)([H])N1C2=O)=O
Molecular Formula
C11H12N6O4S
Molecular Weight
324.32
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Liu S, et al. Determination of Relative Response Factors of Cefazolin Impurities by Quantitative NMR. AAPS PharmSciTech. 2017 Aug;18 (6) :1895-1900.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cefazolin Impurity C
CAS Number56842-77-4
PubChem CID129010479
IUPAC Name(6R,7R)-3-methyl-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC11H12N6O4S
Molecular Weight324.32
XLogP-1.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity567
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=NN=N3)SC1)C(=O)O
InChI
InChI=1S/C11H12N6O4S/c1-5-3-22-10-7(9(19)17(10)8(5)11(20)21)13-6(18)2-16-4-12-14-15-16/h4,7,10H,2-3H2,1H3,(H,13,18)(H,20,21)/t7-,10-/m1/s1
InChIKey
DGYURGWZOSQCFG-GMSGAONNSA-N
Chemical Structure
2D Structure
2D structure of Cefazolin Impurity C
CAS: 56842-77-4
CID: 129010479
Formula: C11H12N6O4S
MW: 324.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.32
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass324.06407406
Monoisotopic Mass324.06407406
Topological Polar Surface Area156 Ų
Heavy Atom Count22
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FC63653-01Cefazolin impurity C
RM-C062705-01Cefazolin Impurity E
RM-C062779-01Cefazolin Impurity 79
RM-C062750-01Cefazolin Impurity 50
RM-C062729-01Cefazolin Impurity 29
RM-C062718-01Cefazolin Impurity 18
RM-C062739-01Cefazolin Impurity 39
RM-C062748-01Cefazolin Impurity 48

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