Oxybutynin Hydrochloride EP Impurity E

CAT: 1299-RM-O240205-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O240205-01Size:10 mg

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CAS Number

1215677-72-7

Synonyms

4- (ethylpropylamino) but-2-ynyl (RS) -2-cyclohexyl-2-hydroxy-2-phenylacetate

Molecular Formula

C23H33NO3

Molecular Weight

371.51

Target Alternative Name

Oxybutynin

Product Name Synonym

4- (ethylpropylamino) but-2-ynyl (RS) -2-cyclohexyl-2-hydroxy-2-phenylacetate

Chemical Information

N-Desethyl-N-propyl Oxybutynin

CAS Number	1215677-72-7
PubChem CID	57369330
IUPAC Name	4-[ethyl(propyl)amino]but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular Formula	C23H33NO3
Molecular Weight	371.5
XLogP	4.7
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	27
Formal Charge	0
Complexity	508

SMILES

CCCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C23H33NO3/c1-3-17-24(4-2)18-11-12-19-27-22(25)23(26,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5,7-8,13-14,21,26H,3-4,6,9-10,15-19H2,1-2H3

InChIKey

MQLQZGCILBTUPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1215677-72-7

CID: 57369330

Formula: C23H33NO3

MW: 371.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	371.24604391
Monoisotopic Mass	371.24604391
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-O240201-01	Oxybutynin Hydrochloride EP Impurity A
RM-O240206-01	Oxybutynin Hydrochloride Impurity 6; Oxybutynin Hydrochloride EP Impurity F
RM-O240204-01	Oxybutynin Hydrochloride EP Impurity D
RM-O240203-01	Oxybutynin Hydrochloride EP Impurity C
RM-O240202-01	Oxybutynin Hydrochloride EP Impurity B
RM-P182426-01	Paroxetine Hydrochloride Anhydrous EP Impurity E; Paroxetine Hydrochloride EP Impurity E; Paroxetine Hydrochloride Hemihydrate EP Impurity E
RM-L052705-01	Levomethadone hydrochloride EP Impurity E; Methadone EP Impurity E
RM-O240210-01	Oxybutynin Hydrochloride Impurity 10
RM-O240208-01	Oxybutynin Hydrochloride Impurity 8
RM-O240213-01	Oxybutynin hydrochloride Impurity 13

Catalog	Name
ESS0516-01	Oxybutynin-N-Substituted Allyl Impurity Hydrochloride
M12107-01	Oxybutynin hydrochloride
FO171021-01	Oxybutynin impurity C
FO171019	Oxybutynin EP impurity A
MBS133193	Oxybutynin - Impurity B
HY-B0267BS	Oxybutynin-d5 (hydrochloride)
HY-19652A-01	(S) -Oxybutynin (hydrochloride)
461753-01	Oxybutynin-d10 Hydrochloride
CS-O-02740	Oxybutynin-d11 Hydrochloride
HY-143690S	Oxybutynin-d10 (hydrochloride)