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Codeine EP Impurity J

CAT: 1596-AR-C05474-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05474-01Size:10 Units
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CAS Number
3688-65-1
Synonyms
(17RS) -4,5α-epoxy-6α-hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan 17-oxide (as per EP)
Molecular Formula
C18H21NO4
Molecular Weight
315.4
API Name
Codeine

Chemical Information

Codeine N-oxide

Codeine-N-Oxide is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opium derivatives substance.

CAS Number3688-65-1
PubChem CID10470963
IUPAC Name(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol
Molecular FormulaC18H21NO4
Molecular Weight315.4
XLogP0.6
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)[O-]
InChI
InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19?/m0/s1
InChIKey
BDLSDHWCOJPHIE-YMVRPXFZSA-N
Chemical Structure
2D Structure
2D structure of Codeine N-oxide
CAS: 3688-65-1
CID: 10470963
Formula: C18H21NO4
MW: 315.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass315.14705815
Monoisotopic Mass315.14705815
Topological Polar Surface Area56.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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