Basic information
- CAS
78480-14-5- Standard SMILES
Cc1cc(O)c(S(=O)(=O)O)cc1Cc1cc(S(=O)(=O)O)c(O)cc1C- InChIKey
CRLWISMVRNPGKN-UHFFFAOYSA-N- Molecular formula
- C15H16O8S2
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.02865981
Overview
Dicresulene is a small molecule drug. Dicresulene has a monoisotopic molecular weight of 388.03 Da.
Names & identifiers
- Preferred name
- Dicresulene
- IUPAC
- 2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
- English name
- dicresulene
- Molecular formula
- C15H16O8S2
- Molecular weight
- 388.41
Names & synonyms
Dicresulene78480-14-5Dicresulene HydrateDicresulenoDicresulene [INN]5,5'-Methylenebis(2-hydroxy-4-methylbenzenesulfonic acid)2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid1I3756I7NG3,3'-Methylenebis(6-hydroxy-p-toluenesulfonic acid)3,3'-Methylenebis[6-hydroxy-4-methylbenzenesulfonic acid]DicresulenumDicresulenum [INN-Latin]
Show more names
Policresulen-004Policresulen impuredicresulene USP/EP/BPPolicresulen Impurity 9Policresulen Impurity 4Dicresulene Ammonium SaltDicresulene diammonium salt
Dicresuleno [INN-Spanish]UNII-1I3756I7NG3,3'-Methylenebis[6-hydroxy-4-methylbenzenesulfonic Acid] Hydrate;EINECS 278-919-3SCHEMBL2733372CHEMBL2104684DTXSID40229112CRLWISMVRNPGKN-UHFFFAOYSA-N
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Density
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.74 · -0.74±0.50(Predicted)
- color
- White to Light Beige
- FDA UNII
- 1 I3756I7NG · 1I3756I7NG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDicresulene Hydrate is an impurity of Policresulen (P688085), an ideal drug for purulent endometritis and bovine mastitis of the animals.
Suppliers24 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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