Avanafil Impurity 40

CAT: 1299-RM-A164166-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164166-02Size:25 mg

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CAS Number

68832-13-3

Synonyms

(R) -pyrrolidin-2-ylmethanol

Molecular Formula

C5H11NO

Molecular Weight

101.15

Target Alternative Name

Avanafil

Product Name Synonym

(R) -pyrrolidin-2-ylmethanol

Chemical Information

Prolinol, (R)-

D-prolinol is the D-enantiomer of prolinol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

CAS Number	68832-13-3
PubChem CID	2724541
IUPAC Name	[(2R)-pyrrolidin-2-yl]methanol
Molecular Formula	C5H11NO
Molecular Weight	101.15
XLogP	-0.3
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

C1C[C@@H](NC1)CO

InChI

InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1

InChIKey

HVVNJUAVDAZWCB-RXMQYKEDSA-N

Chemical Structure

2D Structure

CAS: 68832-13-3

CID: 2724541

Formula: C5H11NO

MW: 101.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.15
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	101.084063974
Monoisotopic Mass	101.084063974
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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