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Lonidamine

CAT: 0127-BUP11907-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11907-05Size:100 mg
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CAS Number
50264-69-2
Synonyms
AF1890, DICA, Diclondazolic Acid
Purity
=95%
Smiles
OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

Chemical Information

Lonidamine

Lonidamine is a member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. It has a role as an antispermatogenic agent, a geroprotector, an antineoplastic agent and an EC 2.7.1.1 (hexokinase) inhibitor. It is a dichlorobenzene, a monocarboxylic acid and a member of indazoles.

CAS Number50264-69-2
PubChem CID39562
IUPAC Name1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.2
XLogP4.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity396
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKey
WDRYRZXSPDWGEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lonidamine
CAS: 50264-69-2
CID: 39562
Formula: C15H10Cl2N2O2
MW: 321.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.2
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.0119330
Monoisotopic Mass320.0119330
Topological Polar Surface Area55.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1964-5Lonidamine

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