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Glycopyrrolate Impurity 11

CAT: 1596-AR-G02672-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02672-01Size:10 Units
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CAS Number
616866-21-8
Synonyms
(R) -1-methylpyrrolidin-3-yl (R) -2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular Formula
C18H25NO3
Molecular Weight
303.40
API Name
Glycopyrrolate

Chemical Information

(R)-(R)-1-methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CAS Number616866-21-8
PubChem CID6713896
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular FormulaC18H25NO3
Molecular Weight303.4
XLogP3
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CN1CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3/t16-,18+/m1/s1
InChIKey
OVGMKPGXRHJNKJ-AEFFLSMTSA-N
Chemical Structure
2D Structure
2D structure of (R)-(R)-1-methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CAS: 616866-21-8
CID: 6713896
Formula: C18H25NO3
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass303.18344366
Monoisotopic Mass303.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity388
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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