Heptanedihydrazide (CED0203196)

Record Information

Version

1.0

Creation Date

2026-08-23 22:34:27 UTC

Update Date

2026-08-23 22:34:27 UTC

SynCED ID

CED0203196

Secondary Accession Numbers

CHEM240104

Identification

Common Name

Heptanedihydrazide

Class

Small Molecule

Description

Heptanedihydrazide belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C7H16N4O2 and an average molecular weight of 188.23 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₆N₄O₂

Average Molecular Mass

188.230 g/mol

Monoisotopic Mass

188.127 g/mol

CAS Registry Number

13043-98-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H16N4O2/c8-10-6(12)4-2-1-3-5-7(13)11-9/h1-5,8-9H2,(H,10,12)(H,11,13)

InChI Key

OXAGUPFRAIIDLT-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1895.0 Log mg/kg [1100:3400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
CEDs000730	Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.28 Low confidence Statistical Significance 0.0417 Supporting Reference Compounds 197 E-value 324.398
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.28 Low confidence Statistical Significance 0.0557 Supporting Reference Compounds 127 E-value 433.62
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 1 E-value 4.04816
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.28 Low confidence Statistical Significance 0.063 Supporting Reference Compounds 89 E-value 490.372
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.28 Low confidence Statistical Significance 0.1248 Supporting Reference Compounds 149 E-value 971.325
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.28 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 21 E-value 49.5121
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.28 Low confidence Statistical Significance 0.2148 Supporting Reference Compounds 192 E-value 1672.51
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.28 Low confidence Statistical Significance 0.011 Supporting Reference Compounds 15 E-value 85.5563
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.28 Low confidence Statistical Significance 0.1579 Supporting Reference Compounds 56 E-value 1229.47
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.25 Low confidence Statistical Significance 0.5969 Supporting Reference Compounds 307 E-value 4646.98
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.25 Low confidence Statistical Significance 0.5485 Supporting Reference Compounds 257 E-value 4270.34
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 5.10e-04 Supporting Reference Compounds 1 E-value 3.97031
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 9.809
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 17.8275
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.25 Low confidence Statistical Significance 0.7587 Supporting Reference Compounds 497 E-value 5906.42
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.9767
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0057 Supporting Reference Compounds 1 E-value 44.2184
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.25 Low confidence Statistical Significance 0.8348 Supporting Reference Compounds 553 E-value 6498.54
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.28 Low confidence Statistical Significance 0.0885 Supporting Reference Compounds 19 E-value 689.355
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.226 Low confidence Statistical Significance 0.5761 Supporting Reference Compounds 106 E-value 4484.89
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.25 Low confidence Statistical Significance 0.7791 Supporting Reference Compounds 317 E-value 6065.62
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.25 Low confidence Statistical Significance 0.6489 Supporting Reference Compounds 172 E-value 5051.4
Click to view 3D structure	Toll-like receptor 2	O60603	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.28 Low confidence Statistical Significance 0.0095 Supporting Reference Compounds 9 E-value 73.9568
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.28 Low confidence Statistical Significance 0.6361 Supporting Reference Compounds 63 E-value 4951.76
Click to view 3D structure	Histone deacetylase HD2	Q94F81	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.25 Low confidence Statistical Significance 0.1564 Supporting Reference Compounds 15 E-value 1217.48