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Technical details about Policresulen, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Policresulen, 101418-00-2, Dihydroxydimethyldiphenylmethanedisulphonic acid polymer, Formaldehyde,2-(hydroxymethyl)benzenesulfonic acid, Schembl1070408, Dtxsid70143913
Molecular Formula
C23H24O12S3
Molecular Weight
588.6  g/mol
InChI Key
ACZKMKGNTMOPBD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)
2.1.3 InChI Key
ACZKMKGNTMOPBD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Albocresil

2. Albothyl

3. Formaldehyde - Meta-cresolsulfonic Acid

4. Formaldehyde, Meta-cresolsulfonic Acid Drug Combination

5. Lotagen

6. Negatan

7. Negatol

8. Novugen

9. Policresulen

10. Vagothyl

2.2.2 Depositor-Supplied Synonyms

1. Policresulen

2. 101418-00-2

3. Dihydroxydimethyldiphenylmethanedisulphonic Acid Polymer

4. Formaldehyde,2-(hydroxymethyl)benzenesulfonic Acid

5. Schembl1070408

6. Dtxsid70143913

7. Act04770

8. Bcp22334

9. Zinc4217339

10. Akos015897324

11. Bcp0726000010

12. Ft-0631012

13. 418p002

14. Q906883

15. Q-100023

16. 5,5'-(4-hydroxy-2-methyl-5-sulfo-1,3-phenylene)bis(methylene)bis(2-hydroxy-4-methylbenzenesulfonic Acid)

17. Dihydroxydimethyldiphenylmethanedisulphonic Acid Polymer, Antibiotic For Culture Media Use Only

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 588.6 g/mol
Molecular Formula C23H24O12S3
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass588.04298972 g/mol
Monoisotopic Mass588.04298972 g/mol
Topological Polar Surface Area249 Ų
Heavy Atom Count38
Formal Charge0
Complexity1140
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 ATC Code

D - Dermatologicals

D08 - Antiseptics and disinfectants

D08A - Antiseptics and disinfectants

D08AE - Phenol and derivatives

D08AE02 - Policresulen


G - Genito urinary system and sex hormones

G01 - Gynecological antiinfectives and antiseptics

G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

G01AX - Other antiinfectives and antiseptics

G01AX03 - Policresulen


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