Famciclovir Impurity 41

CAT: 1299-RM-F030341-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F030341-01Size:10 mg

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CAS Number

172529-94-1

Synonyms

2- (2- (2-amino-6-chloro-9H-purin-9-yl) ethyl) propane-1,3-diol

Molecular Formula

C10H14ClN5O2

Molecular Weight

271.71

Target Alternative Name

Famciclovir

Product Name Synonym

2- (2- (2-amino-6-chloro-9H-purin-9-yl) ethyl) propane-1,3-diol

Chemical Information

2-(2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diol

CAS Number	172529-94-1
PubChem CID	11425738
IUPAC Name	2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propane-1,3-diol
Molecular Formula	C10H14ClN5O2
Molecular Weight	271.70
XLogP	-0.2
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	269

SMILES

C1=NC2=C(N1CCC(CO)CO)N=C(N=C2Cl)N

InChI

InChI=1S/C10H14ClN5O2/c11-8-7-9(15-10(12)14-8)16(5-13-7)2-1-6(3-17)4-18/h5-6,17-18H,1-4H2,(H2,12,14,15)

InChIKey

FSJCDRZLIWVLEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172529-94-1

CID: 11425738

Formula: C10H14ClN5O2

MW: 271.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.70
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	271.0836024
Monoisotopic Mass	271.0836024
Topological Polar Surface Area	110 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	269
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