Lobeline HCl EP Impurity C

CAT: 1596-AR-L01768-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L01768-01Size:10 Units

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CAS Number

552-72-7

Synonyms

(R) -2- ((2R,6S) -6- ((S) -2-hydroxy-2-phenylethyl) -1-methylpiperidin-2-yl) -1-phenylethanolhydrochloride

Molecular Formula

C22H29NO2

Molecular Weight

339.48

API Name

Lobeline

Chemical Information

Lobelanidine

Lobelanidine is a citraconoyl group.

CAS Number	552-72-7
PubChem CID	442646
IUPAC Name	(1S)-2-[(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
Molecular Formula	C22H29NO2
Molecular Weight	339.5
XLogP	3.6
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	342

SMILES

CN1[C@H](CCC[C@H]1C[C@@H](C2=CC=CC=C2)O)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+

InChIKey

OWGJQNXIWMMDTH-COPRSSIGSA-N

Chemical Structure

2D Structure

CAS: 552-72-7

CID: 442646

Formula: C22H29NO2

MW: 339.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.5
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	339.219829168
Monoisotopic Mass	339.219829168
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L01766-01	Lobeline HCl EP Impurity A HCl
AR-L01767-01	Lobeline HCl EP Impurity B HCl
AR-L01765-01	Lobeline HCl
AR-D07254-01	Dipivefrine EP Impurity C HCl and Dipivefrine EP Impurity D HCl
AR-P31676-01	Pimozide EP Impurity A HCl (Benperidol EP Impurity A HCl)
AR-L07074-01	Levomepromazine EP Impurity C HCl
AR-D07248-01	Dipivefrine EP Impurity C HCl
AR-D01938-01	Diphenhydramine EP Impurity C HCl
AR-C05628-01	Cyclopentolate EP Impurity C HCl
AR-T02738-01	Tramadol EP Impurity C HCl