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Desamino Hydroxy Lenvatinib

CAT: 0572-TRC-D282085-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D282085-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
417717-21-6
Synonyms
Desamino Hydroxy Lenvatinib; 6-Quinolinecarboxylic acid, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy- (9CI, ACI); 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxylic acid (ACI)
Hazard Statement
Suspected of damaging fertility or the unborn child
Smiles
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)O
Molecular Formula
C21 H18 Cl N3 O5
Molecular Weight
427.838
InChI
InChI=1S/C21H18ClN3O5/c1-29-19-10-17-13(9-14(19)20(26)27)18(6-7-23-17)30-12-4-5-16(15(22)8-12)25-21(28)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,26,27)(H2,24,25,28)
Additionnal Information
IUPAC name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Lenvatinib Impurity F
CAS Number417717-21-6
PubChem CID22936749
IUPAC Name4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxylic acid
Molecular FormulaC21H18ClN3O5
Molecular Weight427.8
XLogP3.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity634
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)O)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl
InChI
InChI=1S/C21H18ClN3O5/c1-29-19-10-17-13(9-14(19)20(26)27)18(6-7-23-17)30-12-4-5-16(15(22)8-12)25-21(28)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,26,27)(H2,24,25,28)
InChIKey
WVPCSJGFZLUZOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenvatinib Impurity F
CAS: 417717-21-6
CID: 22936749
Formula: C21H18ClN3O5
MW: 427.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.8
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass427.0934984
Monoisotopic Mass427.0934984
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity634
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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