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Pharmaceutical impurity

Tamsulosin EP Impurity D HCl

Tamsulosin EP Impurity D HCl is listed in the pharmaceutical impurity collection under CAS 80223-96-7. Its represented structure has formula C19H27ClN2O5S and a calculated molecular weight of 430.95 g/mol.

2D chemical structure

O O N H O S H 2 N O O H C l

Chemical identity

Catalog name
Tamsulosin EP Impurity D HCl
Common name
Tamsulosin EP Impurity D HCl
Chemical name
2-methoxy-5-[2-[2-(2-methoxyphenoxy)ethylamino]propyl]benzenesulfonamide;hydrochloride
CAS
80223-96-7
SMILES
COc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl
InChI
InChI=1S/C19H26N2O5S.ClH/c1-14(21-10-11-26-17-7-5-4-6-16(17)24-2)12-15-8-9-18(25-3)19(13-15)27(20,22)23;/h4-9,13-14,21H,10-12H2,1-3H3,(H2,20,22,23);1H
InChIKey
UVWZZLJTGVGLAO-UHFFFAOYSA-N
Associated API
Tamsulosin

Record ID: Acce4041e9ca0

Computed properties

C19H27ClN2O5S Molecular formula
430.954 g/molMolecular weight
430.1329 DaMonoisotopic exact mass
99.88 ŲTopological polar surface area
2.3726 Calculated LogP (Wildman–Crippen)
111.2729 cm³/molMolar refractivity (Wildman–Crippen)
6 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. The SMILES contains 2 disconnected components. Calculations retain all represented components. 1 potential atom stereocenters have unspecified configuration.

Molecular descriptor profile

Descriptor radar

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

Structural feature counts

0 3 6 9 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl H N O S 0 6 12 18 24 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 weight430.95475.67
Calculated LogP (Wildman–Crippen)2.372649.63
Topological polar surface area99.8872.07
Hydrogen-bond acceptors675.83
Hydrogen-bond donors264.87
Rotatable bonds (strict)1089.42

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC19H27ClN2O5Sdimensionless
Molecular weight430.954g/mol
Monoisotopic exact mass430.1329Da
Topological polar surface area99.88Ų
Calculated LogP (Wildman–Crippen)2.3726dimensionless
Molar refractivity (Wildman–Crippen)111.2729cm³/mol
Hydrogen-bond acceptors6count
Hydrogen-bond donors2count
Rotatable bonds (strict)10count
Heavy atoms28count
Heteroatoms9count
Rings2count
Aromatic rings2count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles2count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.3684fraction
Formal charge0e
Disconnected components2count
Isotopically specified atoms0count
Potential atom stereocenters1count
Unspecified atom stereocenters1count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area172.1873Ų
Valence electrons156count
Radical electrons0count
Bertz complexity861.1525index
Balaban J0index

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 Tamsulosin EP Impurity D HCl

Qualification and safety assessment of Tamsulosin EP Impurity D HCl

Explore toxicological qualification of Tamsulosin EP Impurity D HCl and ICH M7 mutagenic impurity assessment of Tamsulosin EP Impurity D HCl for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Tamsulosin EP Impurity D HCl and acceptable intake and limit justification for Tamsulosin EP Impurity D HCl. 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.

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