Pharmaceutical impurity

Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)

Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine) is listed in the pharmaceutical impurity collection under CAS 125-24-6. Its represented structure has formula C34H36N2O6 and a calculated molecular weight of 568.67 g/mol.

2D chemical structure

Chemical identity

Catalog name: Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)
Common name: Morphine Sulphate Imp. B (EP)
Chemical name: 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)
CAS: 125-24-6
SMILES: CN1CC[C@]23c4c5cc(-c6cc7c8c(c6O)O[C@H]6[C@@H](O)C=C[C@H]9[C@@H](C7)N(C)CC[C@@]896)c(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
InChI: InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3/t19-,20-,21+,22+,23-,24-,31-,32-,33-,34-/m0/s1
InChIKey: FOJYFDFNGPRXDR-SQILNHJXSA-N
Associated API: Morphine Sulphate

Record ID: A344be8950104

Computed properties

C34H36N2O6 Molecular formula

568.67 g/molMolecular weight

568.2573 DaMonoisotopic exact mass

105.86 Å²Topological polar surface area

2.3766 Calculated LogP (Wildman–Crippen)

154.1472 cm³/molMolar refractivity (Wildman–Crippen)

8 countHydrogen-bond acceptors

4 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

Structural feature counts

Element composition

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

Descriptor	Value	Percentile
Molecular weight	568.67	90.30
Calculated LogP (Wildman–Crippen)	2.3766	49.77
Topological polar surface area	105.86	75.25
Hydrogen-bond acceptors	8	87.87
Hydrogen-bond donors	4	89.70
Rotatable bonds (strict)	1	12.12

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C34H36N2O6	dimensionless
Molecular weight	568.67	g/mol
Monoisotopic exact mass	568.2573	Da
Topological polar surface area	105.86	Å²
Calculated LogP (Wildman–Crippen)	2.3766	dimensionless
Molar refractivity (Wildman–Crippen)	154.1472	cm³/mol
Hydrogen-bond acceptors	8	count
Hydrogen-bond donors	4	count
Rotatable bonds (strict)	1	count
Heavy atoms	42	count
Heteroatoms	8	count
Rings	10	count
Aromatic rings	2	count
Aliphatic rings	8	count
Saturated rings	2	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	4	count
Saturated heterocycles	2	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	4	count
Fraction of sp³ carbon atoms	0.5294	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	10	count
Unspecified atom stereocenters	0	count
Spiro atoms	2	count
Bridgehead atoms	4	count
Labute approximate surface area	244.0151	Å²
Valence electrons	218	count
Radical electrons	0	count
Bertz complexity	1,546.4541	index
Balaban J	1.1946	index

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 Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)

Qualification and safety assessment of Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)

Explore toxicological qualification of Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine) and ICH M7 mutagenic impurity assessment of Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine) for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine) and acceptable intake and limit justification for Morphine Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine). 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 Sulphate Imp. B (EP): 7,7',8,8'-Tetradehydro-4,5 :4',5' - diepoxy-17,17'-dimethyl-2,2'-bimorphinanyl- 3,3',6 ,6' -tetrol (Pseudomorphine; 2,2'-Bismorphine)

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