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Ceftolozane Impurity 6

CAT: 1596-AR-C06833-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06833-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474956-63-3
Synonyms
1-Methyl-5- (tritylamino) -1H-pyrazole-4-carbaldehyde
Molecular Formula
C24H21N3O
Molecular Weight
367.45
API Name
Ceftolozane

Chemical Information

1-Methyl-5-triphenylmethylaminopyrazole-4-carbaldehyde
CAS Number474956-63-3
PubChem CID17961960
IUPAC Name1-methyl-5-(tritylamino)pyrazole-4-carbaldehyde
Molecular FormulaC24H21N3O
Molecular Weight367.4
XLogP5.2
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity447
SMILES
CN1C(=C(C=N1)C=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O/c1-27-23(19(18-28)17-25-27)26-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,26H,1H3
InChIKey
AYAMPQPIIJSCJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-5-triphenylmethylaminopyrazole-4-carbaldehyde
CAS: 474956-63-3
CID: 17961960
Formula: C24H21N3O
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass367.168462302
Monoisotopic Mass367.168462302
Topological Polar Surface Area46.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity447
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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