Showing Compound Croscarmellose (FDB015633)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:58 UTC

Update date

2015-07-20 23:20:25 UTC

Primary ID

FDB015633

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Croscarmellose

Description

Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging Croscarmellose sodium also resolves formulators' concerns over long-term functional stability, reduced effectiveness at high tablet hardness levels, and similar problems associated with other products developed to enhance drug dissolution. Croscarmellose sodium is a very commonly used pharmaceutical additive approved by the U.S. Food and Drug Administration (FDA). Its purpose in most tablets - including dietary supplements - is to assist the tablet in disintegrating in the intestinal tract at the required location. If a tablet disintegrating agent is not included, the tablet could disintegrate too slowly, or in the wrong part of the intestine or not at all, thereby reducing the efficacy of the active ingredients.; Croscarmellose sodium is an internally cross-linked sodium carboxymethylcellulose for use as a disintegrant in pharmaceutical formulations.

CAS Number

9000-11-06

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Croscarmellose	Kegg
Carboxymethylcellulose	Kegg
CMC	Kegg
Intrasite gel	Kegg
2,3,4,5,6-Pentahydroxyhexanal; acetate	Generator
Aquacel	MeSH
Aquaplast	MeSH
Carboxymethyl cellulose	MeSH
Carboxymethylcellulose sodium	MeSH
Carboxymethylcellulose, sodium	MeSH
Cellolax	MeSH
Cellulose, carboxymethyl	MeSH
Cethylose	MeSH
Croscarmellose sodium	MeSH
Polycell	MeSH
Ruspol	MeSH
Sodium carboxymethylcellulose	MeSH
Sodium, carboxymethylcellulose	MeSH
Sodium, carmellose	MeSH
Sodium, croscarmellose	MeSH
Carmellose sodium	MeSH
7H (carbohydrate)	biospider
Acetic acid, hydroxy-, cellulose ether	biospider
Almelose	biospider
Apergel	biospider
Apeyel	biospider
Carbose	biospider
Carboximethylcellulosum	biospider
Carboxymethyl cellulose ether	biospider
Carboxymethylated cellulose pulp	biospider
Carboxymethylcellulose cellulose carboxymethyl ether	biospider
Carboxymethylcellulosum	biospider
Carmellose	biospider
Carmellose (JP15/INN)	biospider
Carmellose gum	db_source
Carmellose, BAN	db_source
Carmellosum	biospider
Carmelosa	biospider
Cellulose carboxymethylate	biospider
Cellulose GUM 7H	biospider
Cellulose, (carboxymethyl)	biospider
Cellulose, carboxymethyl ether	biospider
Cellulose, ether with glycolic acid	biospider
Celluloseglycolic acid	biospider
CM-cellulose	biospider
CMC-4LF	biospider
Colloresine	biospider
Croscarmellose, BAN, INN	db_source
Croscarmellosum	biospider
Croscarmelosa	biospider
Duodcel	biospider
E466	db_source
FEMA 2239	db_source
Glycocel ta	biospider
Glycolic acid cellulose ether	biospider
KMTS	biospider
Thylose	biospider

Predicted Properties

Property	Value	Source
Water Solubility	261 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-3.6	ChemAxon
logS	0.16	ALOGPS
pKa (Strongest Acidic)	12.26	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.35 m³·mol⁻¹	ChemAxon
Polarizability	16.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C8H16O8

IUPAC name

2,3,4,5,6-pentahydroxyhexanal; acetic acid

InChI Identifier

InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)

InChI Key

VJHCJDRQFCCTHL-UHFFFAOYSA-N

Isomeric SMILES

CC(O)=O.OCC(O)C(O)C(O)C(O)C=O

Average Molecular Weight

240.208

Monoisotopic Molecular Weight

240.084517475

Classification

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Medium-chain aldehyde
Beta-hydroxy aldehyde
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aldehyde
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Mp 300°	DFC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0090000000-5937b95171d59bf4cd2e	2016-06-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-0090000000-3b2eccb0be525bb07f81	2016-08-03	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

24748

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

BVM46-Z:KFJ44-V

EAFUS ID

520

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1008421

SuperScent ID

Not Available

Wikipedia ID

Croscarmellose

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Croscarmellose (FDB015633)

Structure for FDB015633 (Croscarmellose)