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Database / Pharmaceutical impurity

Pharmaceutical impurity

Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)

Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine) is listed in the pharmaceutical impurity collection under CAS 467-04-9. Its represented structure has formula C18H19NO3 and a calculated molecular weight of 297.35 g/mol.

2D chemical structure

O O H N O H H ( R ) ( S ) ( R )

Chemical identity

Catalog name
Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)
Common name
Morphine Hydrochloride Imp. C (EP)
Chemical name
6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)
CAS
467-04-9
SMILES
COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5
InChI
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
InChIKey
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
Associated API
Morphine Hydrochloride

Record ID: Aaec0d15cf35c

Computed properties

C18H19NO3 Molecular formula
297.354 g/molMolecular weight
297.1365 DaMonoisotopic exact mass
41.93 ŲTopological polar surface area
2.1215 Calculated LogP (Wildman–Crippen)
82.1148 cm³/molMolar refractivity (Wildman–Crippen)
4 countHydrogen-bond acceptors
1 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 2 4 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 4 8 12 16 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight297.35443.35
Calculated LogP (Wildman–Crippen)2.121544.84
Topological polar surface area41.9323.74
Hydrogen-bond acceptors450.68
Hydrogen-bond donors138.08
Rotatable bonds (strict)112.12

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC18H19NO3dimensionless
Molecular weight297.354g/mol
Monoisotopic exact mass297.1365Da
Topological polar surface area41.93Ų
Calculated LogP (Wildman–Crippen)2.1215dimensionless
Molar refractivity (Wildman–Crippen)82.1148cm³/mol
Hydrogen-bond acceptors4count
Hydrogen-bond donors1count
Rotatable bonds (strict)1count
Heavy atoms22count
Heteroatoms4count
Rings5count
Aromatic rings1count
Aliphatic rings4count
Saturated rings1count
Aromatic heterocycles0count
Aliphatic heterocycles2count
Saturated heterocycles1count
Aromatic carbocycles1count
Aliphatic carbocycles2count
Fraction of sp³ carbon atoms0.4444fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters3count
Unspecified atom stereocenters0count
Spiro atoms1count
Bridgehead atoms2count
Labute approximate surface area129.1893Ų
Valence electrons114count
Radical electrons0count
Bertz complexity750.9443index
Balaban J1.8589index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)

Qualification and safety assessment of Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)

Explore toxicological qualification of Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine) and ICH M7 mutagenic impurity assessment of Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine) for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine) and acceptable intake and limit justification for Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine). The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

Discuss an assessment for Morphine Hydrochloride Imp. C (EP): 6,7,8,14-Tetradehydro-4,5 -epoxy-6-methoxy-17- methylmorphinan-3-ol (Oripavine)

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