Avanafil Impurity 32

CAT: 1299-RM-A164158-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164158-02Size:25 mg

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CAS Number

330786-34-0

Synonyms

4- ((3-chloro-4-methoxybenzyl) amino) -2- (methylthio) pyrimidine-5-carboxylic acid

Molecular Formula

C14H14ClN3O3S

Molecular Weight

339.79

Target Alternative Name

Avanafil

Product Name Synonym

4- ((3-chloro-4-methoxybenzyl) amino) -2- (methylthio) pyrimidine-5-carboxylic acid

Chemical Information

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

CAS Number	330786-34-0
PubChem CID	22665572
IUPAC Name	4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid
Molecular Formula	C14H14ClN3O3S
Molecular Weight	339.8
XLogP	3.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	377

SMILES

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

InChI

InChI=1S/C14H14ClN3O3S/c1-21-11-4-3-8(5-10(11)15)6-16-12-9(13(19)20)7-17-14(18-12)22-2/h3-5,7H,6H2,1-2H3,(H,19,20)(H,16,17,18)

InChIKey

PXYYGISXAWKTCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330786-34-0

CID: 22665572

Formula: C14H14ClN3O3S

MW: 339.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.8
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	339.0444402
Monoisotopic Mass	339.0444402
Topological Polar Surface Area	110 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	377
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-A164245-01	Avanafil Impurity 117
RM-A164244-01	Avanafil Impurity 116
RM-A164263-01	Avanafil Impurity 135
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70