Basic information
- Standard SMILES
Cc1cc(Cl)ccc1Cn1nc(C(=O)O)c2ccccc21- InChIKey
IWKDFIXLGQOEKD-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.06655534
Overview
Tolnidamine is an indazole carboxylic acid derivative with antispermatogenic and potential antineoplastic activity. As a male contraceptive, tolnidamine may irreversibly inhibit sperm production. This agent is less nephrotoxic than ionidamide, but it is just as effective in antispermatogenic action to ionidamide.
Names & identifiers
- Preferred name
- Tolnidamine
- IUPAC
- 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid
- English name
- Tolnidamine
- Molecular formula
- C16H13ClN2O2
- Molecular weight
- 300.74
Names & synonyms
Tolnidamine50454-68-7TolnidaminumtolnidaminaZ5M7SC6D5PNSC-283448DTXSID10198487NSC2834481b IndozadoleRefChem:190298DTXCID401209781b, Indazole
Show more names
NSC 2834481-(4-chloro-2-methyl-benzyl)indazole-3-carboxylic acid1-[(4-chloro-2-methyl-phenyl)methyl]indazole-3-carboxylic acid1H-Indazole-3-carboxylic acid, 1-[(4-chloro-2-methylphenyl)methyl]-
Tolnidamine [INN]1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid1-(4-Chloro-2-methylbenzyl)-1H-indazole-3-carboxylic acidTolnidamide1-((4-Chloro-2-methylphenyl)methyl)-1H-indazole-3-carboxylic acid1-[(4-Chloro-2-methylphenyl)methyl]-1H-indazole-3-carboxylic acidTolnidaminoTolnidaminum [INN-Latin]
Database identifiers
- CAS
50454-68-7- PubChem CID
- 68679
- DTXSID
DTXSID10198487- ChEMBL
CHEMBL2107293- UNII
- Z5M7SC6D5P
- Nikkaji
- J10.490F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 220 °C · 220°C (rough estimate)
- Density
- 1.2682 · 1.2682 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- FDA UNII
- 5 M7SC6D5P · Z5M7SC6D5P
Chemistry & industry
Applications
UsesTolnidamine is an orally active sperm production inhibitor[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
Related reactions
5 records
Linked notes
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