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488832-69-5

488832-69-5 structural image
Product Name: Elesclomol
Formula: C19H20N4O2S2
Synonyms: 1,3-bis[2-Methyl-2-(phenylthioxomethyl)hydrazide]propanedioic acid;N′1,N′3-Dimethyl-N′1,N′3-di(phenylcarbonothioyl)malonohydrazide;
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 400.5 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 400.10276824 g/mol
Monoisotopic Mass 400.10276824 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 510
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Elesclomol is a carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of N-methylbenzenecarbothiohydrazide It has a role as an antineoplastic agent and an apoptosis inducer. It is a carbohydrazide and a thiocarbonyl compound. It is functionally related to a malonic acid.