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2D Structure
Also known as: Psyllic acid, 38232-03-0, Ceromelissic acid, 8063-16-9, 5lsy5b2356, C33:0
Molecular Formula
C33H66O2
Molecular Weight
494.9  g/mol
InChI Key
HQRWEDFDJHDPJC-UHFFFAOYSA-N
FDA UNII
5LSY5B2356

Dried, ripe seeds of PLANTAGO PSYLLIUM; PLANTAGO INDICA; and PLANTAGO OVATA. Plantain seeds swell in water and are used as demulcents and bulk laxatives.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tritriacontanoic acid
2.1.2 InChI
InChI=1S/C33H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35/h2-32H2,1H3,(H,34,35)
2.1.3 InChI Key
HQRWEDFDJHDPJC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
5LSY5B2356
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Gum, Ispaghule

2. Isogel

3. Ispaghula

4. Ispaghule Gum

5. Metamucil

6. Plantaginis, Semen

7. Plantaglucide

8. Plantago Seed

9. Psyllium

10. Reguval

11. Seed, Plantago

12. Semen Plantaginis

2.3.2 Depositor-Supplied Synonyms

1. Psyllic Acid

2. 38232-03-0

3. Ceromelissic Acid

4. 8063-16-9

5. 5lsy5b2356

6. C33:0

7. Psyllium Seed Gum

8. Tritriacontanoicacid

9. Pysslostearic Acid

10. Unii-5lsy5b2356

11. Schembl7647614

12. Dtxsid90959174

13. Chebi:165446

14. Lmfa01010033

15. Zinc59065086

16. Fa 33:0

17. Yp58645

18. Fa(33:0)

19. Q2823315

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 494.9 g/mol
Molecular Formula C33H66O2
XLogP315.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count31
Exact Mass494.50628134 g/mol
Monoisotopic Mass494.50628134 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity393
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Cathartics

Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)