Dextromethorphan EP Impurity D

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CAT#:1596-AR-D01654-02Size:25 Units

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CAS Number

1453167-99-1

Synonyms

(4bS,8aS,9S) -3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthrene; ent- (14S) -3-methoxy-17-methylmorphinan

Molecular Formula

C18H25NO

Molecular Weight

271.4

API Name

Dextromethorphan

Chemical Information

Ent-(14S)-3-Methoxy-17-methylmorphinan

LSM-2525 is a morphinane alkaloid.

CAS Number	1453167-99-1
PubChem CID	5702040
IUPAC Name	(1S,9S,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular Formula	C18H25NO
Molecular Weight	271.4
XLogP	3.4
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	370

SMILES

CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)OC

InChI

InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m0/s1

InChIKey

MKXZASYAUGDDCJ-SZMVWBNQSA-N

Chemical Structure

2D Structure

CAS: 1453167-99-1

CID: 5702040

Formula: C18H25NO

MW: 271.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	271.193614421
Monoisotopic Mass	271.193614421
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	370
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
AR-D05905-01	Dextromethorphan EP Impurity A HCl
AR-D06036-01	Dextromethorphan EP Impurity C
AR-D06877-01	Dextrorphan D-Tartrate (Dextromethorphan EP Impurity B D-Tartrate)
AR-D01653-01	Dextromethorphan EP Impurity B (Dextrorphan)
AR-D06874-01	N-Nitroso Dextromethorphan EP Impurity A
AR-D06876-01	Dextrorphan Hemitartrate (Dextromethorphan EP Impurity B Hemitartrate)
AR-D06875-01	Dextrorphan-13C-d3 D-Tartrate (Dextromethorphan EP Impurity B-13C-d3 D-Tartrate)
AR-T02873-01	Tretinoin EP Impurity D (Isotretinoin EP Impurity D)
AR-D06050-01	Dextromethorphan Impurity 9
AR-D06870-01	Dextromethorphan Impurity 6