Carbon black

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Carbon black
DrugBank Accession Number
DB11980
Background

Produced by the incomplete combustion of hydrocarbons, carbon black is an insoluble pigment 1 with demonstrated adverse effects on pulmonary function.2 Upon inhalation, carbon black has been reported to trigger an inflammatory response in the lung tissue 2 and has been linked to carcinogenicity.3,4,5

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 12.011
Monoisotopic: 12.0
Chemical Formula
C
Synonyms
  • BLACK 2
  • C.I. 77266
  • C.I. PIGMENT BLACK 7
  • CI 77266
  • D&C black no. 2
  • D&C BLACK NO. 2 [II]
  • DC BLACK NO. 2
  • VEGETABLE CARBON
  • VEGETABLE CARBON (E 153)

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organic compounds. These are compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon trioxide, carbon suboxide, and dicarbon monoxide.
Kingdom
Organic compounds
Super Class
Not Available
Class
Not Available
Sub Class
Not Available
Direct Parent
Organic compounds
Alternative Parents
Not Available
Substituents
Aliphatic acyclic compound / Organic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
nonmetal atom, carbon group element atom (CHEBI:27594)
Affected organisms
Not Available

Chemical Identifiers

UNII
4XYU5U00C4
CAS number
1333-86-4
InChI Key
OKTJSMMVPCPJKN-UHFFFAOYSA-N
InChI
InChI=1S/C
IUPAC Name
carbon
SMILES
[C]

References

General References
  1. Miranda-Bermudez E, Belai N, Harp BP, Yakes BJ, Barrows JN: Qualitative determination of carbon black in food products. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2012;29(1):38-42. doi: 10.1080/19440049.2011.616535. Epub 2011 Oct 31. [Article]
  2. Zhang H, Lou N, Liu XY, Li CZ, Xu K, Xu FF, Su AC, Zhang LY, Zhang M, Zhang JG: Long-term carbon black inhalation induced the inflammation and autophagy of cerebellum in rats. Neurotoxicology. 2021 Dec;87:120-127. doi: 10.1016/j.neuro.2021.08.019. Epub 2021 Sep 9. [Article]
  3. Zhang J, Li X, Cheng W, Li Y, Shi T, Jiang Y, Wang T, Wang H, Ren D, Zhang R, Zheng Y, Tang J: Chronic carbon black nanoparticles exposure increases lung cancer risk by affecting the cell cycle via circulatory inflammation. Environ Pollut. 2022 Jul 15;305:119293. doi: 10.1016/j.envpol.2022.119293. Epub 2022 Apr 11. [Article]
  4. Chang CY, You R, Armstrong D, Bandi A, Cheng YT, Burkhardt PM, Becerra-Dominguez L, Madison MC, Tung HY, Zeng Z, Wu Y, Song L, Phillips PE, Porter P, Knight JM, Putluri N, Yuan X, Marcano DC, McHugh EA, Tour JM, Catic A, Maneix L, Burt BM, Lee HS, Corry DB, Kheradmand F: Chronic exposure to carbon black ultrafine particles reprograms macrophage metabolism and accelerates lung cancer. Sci Adv. 2022 Nov 18;8(46):eabq0615. doi: 10.1126/sciadv.abq0615. Epub 2022 Nov 16. [Article]
  5. McCunney RJ, Morfeld P, Levy L, Muranko H: Carbon black. Environ Health Perspect. 2011 Aug;119(8):A332-3; author reply A333-4. doi: 10.1289/ehp.1103444. [Article]
PubChem Substance
347828302
RxNav
2032
Wikipedia
Carbon_black

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
1CompletedNot AvailableAtopic Hypersensitivity / Type I Hypersensitivity1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP0Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity13.11 m3·mol-1Chemaxon
Polarizability1.51 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-9000000000-c8167f7817582bf388a4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-fea4551d2abf7e94ab87
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-fea4551d2abf7e94ab87
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-fea4551d2abf7e94ab87
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-109.33826
predicted
DeepCCS 1.0 (2019)
[M+H]+111.11545
predicted
DeepCCS 1.0 (2019)
[M+Na]+117.95068
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:07 / Updated at July 14, 2024 21:14