Tolnidamine

HCID 68679CAS 50454-68-7

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

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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