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Revefenacin Impurity 16

CAT: 1299-RM-R052216-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R052216-01Size:10 mg
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CAS Number
1682660-39-4
Synonyms
1- (2- (4- (hydroxymethyl) -N-methylbenzamido) ethyl) piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate
Molecular Formula
C29H33N3O4
Molecular Weight
487.6
Target Alternative Name
Revefenacin
Product Name Synonym
1- (2- (4- (hydroxymethyl) -N-methylbenzamido) ethyl) piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate

Chemical Information

Des-4'(methylpiperidine-4-carboxamide)-4'-hydroxymethyl Revefenacin
CAS Number1682660-39-4
PubChem CID166487534
IUPAC Name[1-[2-[[4-(hydroxymethyl)benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular FormulaC29H33N3O4
Molecular Weight487.6
XLogP4
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity682
SMILES
CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CO
InChI
InChI=1S/C29H33N3O4/c1-31(28(34)24-13-11-22(21-33)12-14-24)19-20-32-17-15-25(16-18-32)36-29(35)30-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-14,25,33H,15-21H2,1H3,(H,30,35)
InChIKey
BDRTWFLPAGPESH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Des-4'(methylpiperidine-4-carboxamide)-4'-hydroxymethyl Revefenacin
CAS: 1682660-39-4
CID: 166487534
Formula: C29H33N3O4
MW: 487.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass487.24710654
Monoisotopic Mass487.24710654
Topological Polar Surface Area82.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity682
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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