Pharmaceutical impurity

Salutaridinol

Salutaridinol is listed in the pharmaceutical impurity collection under CAS 3271-79-2. Its represented structure has formula C19H23NO4 and a calculated molecular weight of 329.40 g/mol.

2D chemical structure

Chemical identity

Catalog name: Salutaridinol
Common name: Salutaridinol
Chemical name: Not available
CAS: 3271-79-2
SMILES: COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1O
InChI: InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14+,19+/m1/s1
InChIKey: LLSADFZHWMEBHH-TYILLQQXSA-N
Associated API: Morphine

Record ID: Aaaba2a361fd2

Computed properties

C19H23NO4 Molecular formula

329.396 g/molMolecular weight

329.1627 DaMonoisotopic exact mass

62.16 Å²Topological polar surface area

1.73 Calculated LogP (Wildman–Crippen)

90.2576 cm³/molMolar refractivity (Wildman–Crippen)

5 countHydrogen-bond acceptors

2 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	329.396	52.90
Calculated LogP (Wildman–Crippen)	1.73	37.37
Topological polar surface area	62.16	42.78
Hydrogen-bond acceptors	5	65.12
Hydrogen-bond donors	2	64.87
Rotatable bonds (strict)	2	24.16

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C19H23NO4	dimensionless
Molecular weight	329.396	g/mol
Monoisotopic exact mass	329.1627	Da
Topological polar surface area	62.16	Å²
Calculated LogP (Wildman–Crippen)	1.73	dimensionless
Molar refractivity (Wildman–Crippen)	90.2576	cm³/mol
Hydrogen-bond acceptors	5	count
Hydrogen-bond donors	2	count
Rotatable bonds (strict)	2	count
Heavy atoms	24	count
Heteroatoms	5	count
Rings	4	count
Aromatic rings	1	count
Aliphatic rings	3	count
Saturated rings	1	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	1	count
Saturated heterocycles	1	count
Aromatic carbocycles	1	count
Aliphatic carbocycles	2	count
Fraction of sp³ carbon atoms	0.4737	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	3	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	2	count
Labute approximate surface area	141.3543	Å²
Valence electrons	128	count
Radical electrons	0	count
Bertz complexity	753.9788	index
Balaban J	2.0148	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 Salutaridinol

Qualification and safety assessment of Salutaridinol

Explore toxicological qualification of Salutaridinol and ICH M7 mutagenic impurity assessment of Salutaridinol for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Salutaridinol and acceptable intake and limit justification for Salutaridinol. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

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.

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