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Evocalcet Impurity 4

CAT: 1299-RM-E291004-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E291004-02Size:25 mg
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CAS Number
870964-69-5
Synonyms
2- (2- ((S) -3- (((R) -1- (naphthalen-1-yl) ethyl) amino) pyrrolidin-1-yl) phenyl) acetic acid
Molecular Formula
C24H26N2O2
Molecular Weight
374.48
Target Alternative Name
Evocalcet
Product Name Synonym
2- (2- ((S) -3- (((R) -1- (naphthalen-1-yl) ethyl) amino) pyrrolidin-1-yl) phenyl) acetic acid

Chemical Information

Evocalcet Impurity 4
CAS Number870964-69-5
PubChem CID176486760
IUPAC Name2-[2-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic acid
Molecular FormulaC24H26N2O2
Molecular Weight374.5
XLogP2.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity525
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=CC=C4CC(=O)O
InChI
InChI=1S/C24H26N2O2/c1-17(21-11-6-9-18-7-2-4-10-22(18)21)25-20-13-14-26(16-20)23-12-5-3-8-19(23)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
InChIKey
BINOINQAMVMIGQ-XLIONFOSSA-N
Chemical Structure
2D Structure
2D structure of Evocalcet Impurity 4
CAS: 870964-69-5
CID: 176486760
Formula: C24H26N2O2
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass374.199428076
Monoisotopic Mass374.199428076
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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