Posaconazole Nitroso Impurity 313

CAT: 1299-RM-P190613-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P190613-01Size:10 mg

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CAS Number

2763779-41-3

Synonyms

1- (3-methoxyphenyl) -4-nitrosopiperazine

Molecular Formula

C11H15N3O2

Molecular Weight

221.26

Target Alternative Name

Posaconazole

Product Name Synonym

1- (3-methoxyphenyl) -4-nitrosopiperazine

Chemical Information

1-(3-Methoxyphenyl)-4-nitrosopiperazine

CAS Number	2763779-41-3
PubChem CID	165989139
IUPAC Name	1-(3-methoxyphenyl)-4-nitrosopiperazine
Molecular Formula	C11H15N3O2
Molecular Weight	221.26
XLogP	1.8
Topological Polar Surface Area	45.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	229

SMILES

COC1=CC=CC(=C1)N2CCN(CC2)N=O

InChI

InChI=1S/C11H15N3O2/c1-16-11-4-2-3-10(9-11)13-5-7-14(12-15)8-6-13/h2-4,9H,5-8H2,1H3

InChIKey

IWXNIDPQQXEYOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2763779-41-3

CID: 165989139

Formula: C11H15N3O2

MW: 221.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.26
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	221.116426730
Monoisotopic Mass	221.116426730
Topological Polar Surface Area	45.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229
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
RM-P190596-01	Posaconazole Nitroso Impurity 296
RM-P190614-01	Posaconazole Nitroso Impurity 314
RM-P190623-01	Posaconazole Nitroso Impurity 323
RM-P190301-01	Posaconazole Impurity A
RM-P190490-01	Posaconazole Impurity 190
RM-P190576-01	Posaconazole Impurity 276
RM-P190483-01	Posaconazole Impurity 183
RM-P190477-01	Posaconazole Impurity 177
RM-P190475-01	Posaconazole Impurity 175
RM-P190472-01	Posaconazole Impurity 172

Catalog	Name
CS-O-58029	Posaconazole Nitroso Impurity 4
CS-O-58432	Posaconazole Nitroso Impurity 2
CS-O-53148	Posaconazole Nitroso Impurity 1
AR-P32218-01	N-Nitroso Posaconazole Impurity 128
AR-P02342-01	Posaconazole Impurity A
TRC-P689625-25MG	Posaconazole Benzodiazepine Impurity
TRC-P689620-25MG	Posaconazole Imidazolidine Impurity
GTR19213469	Posaconazole Impurity 29
AR-P32198-01	Posaconazole Impurity 99
AR-P32210-01	Posaconazole Impurity 120