Ruxolitinib Impurity 19

CAT: 1596-AR-R11746-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11746-01Size:10 Units

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CAS Number

1865785-69-8

Molecular Formula

C7H12N2O2

Molecular Weight

156.19

API Name

Ruxolitinib

Chemical Information

1-(1-Ethoxyethyl)-1H-pyrazol-4-ol

CAS Number	1865785-69-8
PubChem CID	118679146
IUPAC Name	1-(1-ethoxyethyl)pyrazol-4-ol
Molecular Formula	C7H12N2O2
Molecular Weight	156.18
XLogP	0.5
Topological Polar Surface Area	47.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

CCOC(C)N1C=C(C=N1)O

InChI

InChI=1S/C7H12N2O2/c1-3-11-6(2)9-5-7(10)4-8-9/h4-6,10H,3H2,1-2H3

InChIKey

BZPJIDJKOMNKOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1865785-69-8

CID: 118679146

Formula: C7H12N2O2

MW: 156.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.18
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	156.089877630
Monoisotopic Mass	156.089877630
Topological Polar Surface Area	47.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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
AR-R11741-01	Ruxolitinib Impurity 15
AR-R11751-01	Ruxolitinib Impurity 24
AR-R11771-01	Ruxolitinib Impurity 42
AR-R11779-01	Ruxolitinib Impurity 50
AR-R11758-01	Ruxolitinib Impurity 27
AR-R11761-01	Ruxolitinib Impurity 33
AR-R11770-01	Ruxolitinib Impurity 41
AR-R11778-01	Ruxolitinib impurity 49
AR-R11777-01	Ruxolitinib Impurity 48
AR-R11823-01	Ruxolitinib Diamine Impurity

Catalog	Name
RM-R241201-01	Ruxolitinib Impurity A (Ruxolitinib Enantiomer)
RM-R241209-01	Ruxolitinib Impurity I
RM-R241206-01	Ruxolitinib Impurity F
RM-R241205-01	Ruxolitinib Impurity E
RM-R241213-01	Ruxolitinib Impurity 4
RM-R241243-01	Ruxolitinib Impurity 33
RM-R241310-01	Ruxolitinib Impurity 110
RM-R241306-01	Ruxolitinib Impurity 106
RM-R241299-01	Ruxolitinib Impurity 99
RM-R241298-01	Ruxolitinib Impurity 98