Artemether Impurity 4

CAT: 1299-RM-A181304-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A181304-02Size:25 mg

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CAS Number

174097-70-2

Synonyms

(2S,3R,3aS,3a1R,6R,6aS,8R,9S,10aR) -2-methoxy-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-8-ol

Molecular Formula

C16H26O5

Molecular Weight

298.37

Target Alternative Name

Artemether

Product Name Synonym

(2S,3R,3aS,3a1R,6R,6aS,8R,9S,10aR) -2-methoxy-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-8-ol

Chemical Information

(2R,3R,3aS,6R,6aS,8R,9S,10aS,10bR)-2-Methoxy-3,6,9-trimethyldecahydro-10aH-9,10b-epoxypyrano[4,3,2-jk][2]benzoxepin-8-ol

CAS Number	174097-70-2
PubChem CID	71748978
IUPAC Name	(1S,2R,4S,5R,8S,9R,10R,12S,13R)-10-methoxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-2-ol
Molecular Formula	C16H26O5
Molecular Weight	298.37
XLogP	2
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	442

SMILES

C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]3[C@@]24[C@H]1C[C@H]([C@](O3)(O4)C)O)OC)C

InChI

InChI=1S/C16H26O5/c1-8-5-6-10-9(2)13(18-4)19-14-16(10)11(8)7-12(17)15(3,20-14)21-16/h8-14,17H,5-7H2,1-4H3/t8-,9-,10+,11+,12-,13-,14+,15-,16+/m1/s1

InChIKey

NYMSZZKRBMNKGP-YMSVXTLUSA-N

Chemical Structure

2D Structure

CAS: 174097-70-2

CID: 71748978

Formula: C16H26O5

MW: 298.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.37
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	298.17802393
Monoisotopic Mass	298.17802393
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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-A181303-01	Artemether Impurity 3
RM-A181305-01	Artemether Impurity 5
RM-A181302-01	Artemether Impurity 2
RM-A181300-01	Artemether
RM-A181301-01	Alpha-Artemether
RM-G271004-01	Gc376 Impurity 4; Nirmatrelvir Impurity
RM-P052104-01	Pelubiprofen Impurity 4
RM-C310004-01	Ceftibuten Impurity 4
RM-I040130-01	Indacaterol Impurity 4
RM-D161404-01	Dexpanthenol Impurity 4