Basic Information | Post buying leads | Suppliers |
Name |
Policresulen |
EINECS | N/A |
CAS No. | 101418-00-2 | Density | 1.631 g/cm3 |
PSA | 100.05000 | LogP | 2.47910 |
Solubility | N/A | Melting Point |
N/A |
Formula | (C8H9O4S)· (C8H8O4S)n ·(C7H7O4S) | Boiling Point | 489.7°C at 760 mmHg |
Molecular Weight | 218.22700 | Flash Point | 249.9°C |
Transport Information | N/A | Appearance | Clear Red-Brown Solution |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dihydroxydimethyldiphenylmethanedisulphonic acid polymer |
The Policresulen, with the CAS registry number 101418-00-2, is also known as 2-Hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfo-phenyl)methyl]-4-methyl-benzenesulfonic acid. This chemical's molecular formula is C23H24O12S3 and formula weight is 588.62. What's more, its systematic name is called 2-hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfobenzyl)-4-methylbenzenesulfonic acid. Policresulen is a topical haemostatic and antiseptic. It is indicated for common anal disorders, such as hemorrhoids, and for gynecological infections. This chemical is clear red-brown solution.
Physical properties of Policresulen: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.68; (4)ACD/LogD (pH 7.4): -2.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 134.93 cm3; (14)Molar Volume: 360.6 cm3; (15)Surface Tension: 78.8 dyne/cm; (16)Density: 1.631 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(c(cc1O)C)Cc2cc(c(O)c(c2C)Cc3cc(c(O)cc3C)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/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)
(3)InChIKey: ACZKMKGNTMOPBD-UHFFFAOYAL