Entecavir EP Impurity E

CAT: 1299-RM-E200344-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E200344-02Size:25 mg

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CAS Number

2203740-23-0

Synonyms

2-amino-9- ((1S,3R,4S) -4-hydroxy-3- (hydroxymethyl) -2-methylenecyclopentyl) -8-methoxy-1H-purin-6 (9H) -one

Molecular Formula

C13H17N5O4

Molecular Weight

307.31

Target Alternative Name

Entecavir

Product Name Synonym

2-amino-9- ((1S,3R,4S) -4-hydroxy-3- (hydroxymethyl) -2-methylenecyclopentyl) -8-methoxy-1H-purin-6 (9H) -one

Chemical Information

2-amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-8-methoxy-1H-purin-6-one

CAS Number	2203740-23-0
PubChem CID	168435516
IUPAC Name	2-amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-8-methoxy-1H-purin-6-one
Molecular Formula	C13H17N5O4
Molecular Weight	307.31
XLogP	-1
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	525

SMILES

COC1=NC2=C(N1[C@@H]3C[C@H]([C@@H](C3=C)CO)O)N=C(NC2=O)N

InChI

InChI=1S/C13H17N5O4/c1-5-6(4-19)8(20)3-7(5)18-10-9(15-13(18)22-2)11(21)17-12(14)16-10/h6-8,19-20H,1,3-4H2,2H3,(H3,14,16,17,21)/t6-,7-,8-/m1/s1

InChIKey

STXDLYSFRKKGPP-BWZBUEFSSA-N

Chemical Structure

2D Structure

CAS: 2203740-23-0

CID: 168435516

Formula: C13H17N5O4

MW: 307.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.31
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	307.12805404
Monoisotopic Mass	307.12805404
Topological Polar Surface Area	135 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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-E200303-01	Entecavir EP Impurity A
RM-E200331-01	Entecavir EP Impurity F
RM-E200346-01	Entecavir EP Impurity C
RM-E200426-01	Entecavir EP Impurity A (1R,3R,4S)
RM-E200307-01	Entecavir EP Impurity B (1S,3S,4S)
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-E200330-01	Entecavir EP Impurity D (1S,3R,4R)
RM-E200306-01	Entecavir Impurity A
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E