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RSR4

CAT: 0931-T34421-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34421-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131179-94-7
Target
Others
Related Pathways
Others
Bioactivity
RSR4 is one of the most effective allosteric effectors of hemoglobin.
Smiles
O(C(C(O)=O)(C)C)C1=CC=C(CC(NC2=CC(Cl)=CC(Cl)=C2)=O)C=C1
Molecular Formula
C18H17Cl2NO4
Molecular Weight
382.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rsr 4
CAS Number131179-94-7
PubChem CID131347
IUPAC Name2-[4-[2-(3,5-dichloroanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.2
XLogP4.1
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2NO4/c1-18(2,17(23)24)25-15-5-3-11(4-6-15)7-16(22)21-14-9-12(19)8-13(20)10-14/h3-6,8-10H,7H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
YSKMQAIZJHNDTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rsr 4
CAS: 131179-94-7
CID: 131347
Formula: C18H17Cl2NO4
MW: 382.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.2
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass381.0534634
Monoisotopic Mass381.0534634
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
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

Alternative Products

CatalogName
MBS5783927RSR4

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