Avanafil Impurity 50

CAT: 1596-AR-A07518-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07518-04Size:100 Units

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CAS Number

2310299-29-5

Molecular Formula

C14H14ClN3O5S

Molecular Weight

371.79

API Name

Avanafil

Chemical Information

4-((3-Chloro-4-methoxybenzyl)amino)-2-(methylsulfonyl)pyrimidine-5-carboxylic acid

CAS Number	2310299-29-5
PubChem CID	174688271
IUPAC Name	4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfonylpyrimidine-5-carboxylic acid
Molecular Formula	C14H14ClN3O5S
Molecular Weight	371.8
XLogP	2.3
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	541

SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)O)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H14ClN3O5S/c1-23-11-4-3-8(5-10(11)15)6-16-12-9(13(19)20)7-17-14(18-12)24(2,21)22/h3-5,7H,6H2,1-2H3,(H,19,20)(H,16,17,18)

InChIKey

UCXKIAALQHZUMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2310299-29-5

CID: 174688271

Formula: C14H14ClN3O5S

MW: 371.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.8
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	371.0342694
Monoisotopic Mass	371.0342694
Topological Polar Surface Area	127 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	541
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-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74