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Pharmaceutical impurity

Albuterol EP Impurity H

Albuterol EP Impurity H is listed in the pharmaceutical impurity collection under CAS 132183-64-3. Its represented structure has formula C13H21NO and a calculated molecular weight of 207.32 g/mol.

2D chemical structure

N H H O

Chemical identity

Catalog name
Albuterol EP Impurity H
Common name
Albuterol EP Impurity H
Chemical name
4-[2-(tert-butylamino)ethyl]-2-methylphenol
CAS
132183-64-3
SMILES
Cc1cc(CCNC(C)(C)C)ccc1O
InChI
InChI=1S/C13H21NO/c1-10-9-11(5-6-12(10)15)7-8-14-13(2,3)4/h5-6,9,14-15H,7-8H2,1-4H3
InChIKey
NZVRVWRGZWEPRX-UHFFFAOYSA-N
Associated API
Albuterol

Record ID: A0c2a791b05c3

Computed properties

C13H21NO Molecular formula
207.317 g/molMolecular weight
207.1623 DaMonoisotopic exact mass
32.26 ŲTopological polar surface area
2.6312 Calculated LogP (Wildman–Crippen)
64.3035 cm³/molMolar refractivity (Wildman–Crippen)
2 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

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

Structural feature counts

0 1 2 3 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H N O 0 5 10 15 20 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 weight207.31719.27
Calculated LogP (Wildman–Crippen)2.631254.75
Topological polar surface area32.2614.58
Hydrogen-bond acceptors215.92
Hydrogen-bond donors264.87
Rotatable bonds (strict)337.08

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC13H21NOdimensionless
Molecular weight207.317g/mol
Monoisotopic exact mass207.1623Da
Topological polar surface area32.26Ų
Calculated LogP (Wildman–Crippen)2.6312dimensionless
Molar refractivity (Wildman–Crippen)64.3035cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors2count
Rotatable bonds (strict)3count
Heavy atoms15count
Heteroatoms2count
Rings1count
Aromatic rings1count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.5385fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area92.3301Ų
Valence electrons84count
Radical electrons0count
Bertz complexity325.7981index
Balaban J2.4816index

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 Albuterol EP Impurity H

Qualification and safety assessment of Albuterol EP Impurity H

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

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

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