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| CAS No.: | 101418-00-2 |
|---|---|
| Name: | Dihydroxydimethyldiphenylmethanedisulphonic acid polymer |
| Molecular Structure: | |
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| Formula: | (C8H9O4S)· (C8H8O4S)n ·(C7H7O4S) |
| Molecular Weight: | 218.22700 |
| Synonyms: | Dihydroxydimethyldiphenylmethanedisulphonic acid polymer |
| Density: | 1.631 g/cm3 |
| Boiling Point: | 489.7°C at 760 mmHg |
| Flash Point: | 249.9°C |
| Appearance: | Clear Red-Brown Solution |
| PSA: | 100.05000 |
| LogP: | 2.47910 |
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Specification
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