API & reference standards

Tripamide

Tripamide is listed in the API and reference-standard collection under CAS 73803-48-2. Its represented structure has formula C16H20ClN3O3S and a calculated molecular weight of 369.87 g/mol.

2D chemical structure

Chemical identity

Catalog name: Tripamide
Common name: Tripamide
Chemical name: Not available
CAS: 73803-48-2
SMILES: NS(=O)(=O)c1cc(C(=O)NN2CC3C(C2)[C@H]2CC[C@@H]3C2)ccc1Cl
InChI: InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12?,13?
InChIKey: UHLOVGKIEARANS-ASZHBFLOSA-N
Associated API: Tripamide

Record ID: Aba55d68ff7ea

Computed properties

C16H20ClN3O3S Molecular formula

369.874 g/molMolecular weight

369.0914 DaMonoisotopic exact mass

92.5 Å²Topological polar surface area

1.6101 Calculated LogP (Wildman–Crippen)

89.6754 cm³/molMolar refractivity (Wildman–Crippen)

4 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. 2 potential atom stereocenters have unspecified configuration.

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	369.874	62.51
Calculated LogP (Wildman–Crippen)	1.6101	35.44
Topological polar surface area	92.5	67.28
Hydrogen-bond acceptors	4	50.68
Hydrogen-bond donors	2	64.87
Rotatable bonds (strict)	3	37.08

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C16H20ClN3O3S	dimensionless
Molecular weight	369.874	g/mol
Monoisotopic exact mass	369.0914	Da
Topological polar surface area	92.5	Å²
Calculated LogP (Wildman–Crippen)	1.6101	dimensionless
Molar refractivity (Wildman–Crippen)	89.6754	cm³/mol
Hydrogen-bond acceptors	4	count
Hydrogen-bond donors	2	count
Rotatable bonds (strict)	3	count
Heavy atoms	24	count
Heteroatoms	8	count
Rings	4	count
Aromatic rings	1	count
Aliphatic rings	3	count
Saturated rings	3	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	0.5625	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	4	count
Unspecified atom stereocenters	2	count
Spiro atoms	0	count
Bridgehead atoms	2	count
Labute approximate surface area	145.9086	Å²
Valence electrons	130	count
Radical electrons	0	count
Bertz complexity	779.7574	index
Balaban J	1.4768	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 Tripamide

PDE, HBEL and impurity assessment for Tripamide

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

For pharmaceutical development, explore prediction of degradation products of Tripamide and qualification of impurities related to Tripamide.

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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