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Sunitinib Process Impurity 1

CAT: 0931-T9421-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9421-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
452105-33-8
Target
Others
Related Pathways
Others
Purity
0.9556
Bioactivity
5- (5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl) -2,4-dimethyl-1H-pyrrole-3-carboxylic Acid is a sunitinib impurity.
Smiles
C(=C1C=2C(NC1=O)=CC=C(F)C2)C3=C(C)C(C(O)=O)=C(C)N3
Molecular Formula
C16H13FN2O3
Molecular Weight
300.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sunitinib acid
CAS Number452105-33-8
PubChem CID10979489
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Molecular FormulaC16H13FN2O3
Molecular Weight300.28
XLogP2.1
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity522
SMILES
CC1=C(NC(=C1C(=O)O)C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O
InChI
InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-
InChIKey
RBHBOUYXUXWCNJ-WDZFZDKYSA-N
Chemical Structure
2D Structure
2D structure of Sunitinib acid
CAS: 452105-33-8
CID: 10979489
Formula: C16H13FN2O3
MW: 300.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.28
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass300.09102044
Monoisotopic Mass300.09102044
Topological Polar Surface Area82.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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