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LR 16

CAT: 0931-T32892-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32892-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117011-50-4
Target
Others
Related Pathways
Others
Bioactivity
LR 16 has potent effects on oxygen affinity of hemoglobin, on blood cholesterol and on low density lipoprotein.
Smiles
O(C(C(O)=O)(C)C)C1=CC=C(NC(NC2=CC(Cl)=C(Cl)C=C2)=O)C=C1
Molecular Formula
C17H16Cl2N2O4
Molecular Weight
383.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LR 16

structure given in first source; has potent effects on oxygen affinity of hemoglobin, on blood cholesterol and on low density lipoprotein

CAS Number117011-50-4
PubChem CID3082814
IUPAC Name2-[4-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.2
XLogP4.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity481
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-12-6-3-10(4-7-12)20-16(24)21-11-5-8-13(18)14(19)9-11/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKey
KBLJQBLVEDGLEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LR 16
CAS: 117011-50-4
CID: 3082814
Formula: C17H16Cl2N2O4
MW: 383.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.2
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass382.0487124
Monoisotopic Mass382.0487124
Topological Polar Surface Area87.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity481
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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