Pyronaridine Impurity 11

CAT: 1596-AR-P33462-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33462-02Size:25 Units

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CAS Number

81079-95-0

Synonyms

N- (4-Hydroxy-3,5-bis (pyrrolidin-1-ylmethyl) phenyl) acetamide

Molecular Formula

C18H27N3O2

Molecular Weight

317.43

API Name

Pyronaridine

Chemical Information

2,6-Bis(1-pyrrolidinomethyl)-4-acetamidophenol

CAS Number	81079-95-0
PubChem CID	13362486
IUPAC Name	N-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetamide
Molecular Formula	C18H27N3O2
Molecular Weight	317.4
XLogP	1.4
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	364

SMILES

CC(=O)NC1=CC(=C(C(=C1)CN2CCCC2)O)CN3CCCC3

InChI

InChI=1S/C18H27N3O2/c1-14(22)19-17-10-15(12-20-6-2-3-7-20)18(23)16(11-17)13-21-8-4-5-9-21/h10-11,23H,2-9,12-13H2,1H3,(H,19,22)

InChIKey

KVGRDWIJNPSZGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81079-95-0

CID: 13362486

Formula: C18H27N3O2

MW: 317.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.4
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	317.21032711
Monoisotopic Mass	317.21032711
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-P33453-01	Pyronaridine Impurity 2
AR-P33459-01	Pyronaridine Impurity 8
AR-P33458-01	Pyronaridine Impurity 7
AR-P33466-01	Pyronaridine Impurity 13
AR-P33467-01	Pyronaridine Dichloro Impurity
AR-P33457-01	Pyronaridine Impurity 6
AR-P33460-01	Pyronaridine Impurity 9
AR-P33452-01	Pyronaridine Impurity 1
AR-P33456-01	Pyronaridine Impurity 5
AR-P33463-01	Pyronaridine Impurity 12

Catalog	Name
CS-O-49121	N-Nitroso Pyronaridine acid impurity
MBS5751889	Pyronaridine
HY-14749A-01	Pyronaridine (tetraphosphate)
T16697-01	Pyronaridine tetraphosphate
CS-O-49081	Pyronaridine D4