Pyronaridine Impurity 1

CAT: 1596-AR-P33452-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33452-01Size:10 Units

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CAS Number

6626-40-0

Synonyms

7,10-Dichloro-2-methoxybenzo[b][1,5]naphthyridine

Molecular Formula

C13H8Cl2N2O

Molecular Weight

279.12

API Name

Pyronaridine

Chemical Information

1-Aza-6,9-dichloro-2-methoxyacridine

CAS Number	6626-40-0
PubChem CID	23107
IUPAC Name	7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine
Molecular Formula	C13H8Cl2N2O
Molecular Weight	279.12
XLogP	4.1
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	305

SMILES

COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl

InChI

InChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3

InChIKey

KHPZCNJKNIHKPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6626-40-0

CID: 23107

Formula: C13H8Cl2N2O

MW: 279.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.12
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	278.0013683
Monoisotopic Mass	278.0013683
Topological Polar Surface Area	35 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	305
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-P33456-01	Pyronaridine Impurity 5
AR-P33463-01	Pyronaridine Impurity 12
AR-P33454-01	Pyronaridine Impurity 3

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