Altox

Database / API & reference standards

API & reference standards

Ephedrine hydrochloride (racemic)

Ephedrine hydrochloride (racemic) is listed in the API and reference-standard collection under CAS 134-71-4. Its represented structure has formula C10H16ClNO and a calculated molecular weight of 201.70 g/mol.

2D chemical structure

N H O H H C l ( S ) ( R )

Chemical identity

Catalog name
Ephedrine hydrochloride (racemic)
Common name
Ephedrine hydrochloride (racemic)
Chemical name
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
CAS
134-71-4
SMILES
CN[C@@H](C)[C@H](O)c1ccccc1.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m0./s1
InChIKey
BALXUFOVQVENIU-GNAZCLTHSA-N
Associated API
Ephedrine Hydrochloride racemic

Record ID: A931d5ce9abbf

Computed properties

C10H16ClNO Molecular formula
201.697 g/molMolecular weight
201.092 DaMonoisotopic exact mass
32.26 ŲTopological polar surface area
1.7497 Calculated LogP (Wildman–Crippen)
57.1715 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. The SMILES contains 2 disconnected components. Calculations retain all represented components.

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 Cl 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 weight201.69717.92
Calculated LogP (Wildman–Crippen)1.749737.75
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 formulaC10H16ClNOdimensionless
Molecular weight201.697g/mol
Monoisotopic exact mass201.092Da
Topological polar surface area32.26Ų
Calculated LogP (Wildman–Crippen)1.7497dimensionless
Molar refractivity (Wildman–Crippen)57.1715cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors2count
Rotatable bonds (strict)3count
Heavy atoms13count
Heteroatoms3count
Rings1count
Aromatic rings1count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles1count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.4fraction
Formal charge0e
Disconnected components2count
Isotopically specified atoms0count
Potential atom stereocenters2count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area85.3884Ų
Valence electrons74count
Radical electrons0count
Bertz complexity227.6262index
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 Ephedrine hydrochloride (racemic)

PDE, HBEL and impurity assessment for Ephedrine hydrochloride (racemic)

For a substance-specific assessment, request a PDE report for Ephedrine hydrochloride (racemic) or explore HBEL derivation for Ephedrine hydrochloride (racemic). These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of Ephedrine hydrochloride (racemic) and qualification of impurities related to Ephedrine hydrochloride (racemic).

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 Ephedrine hydrochloride (racemic)

Explore Altox services and software through the Altox Pharma-Hub.