Basic information
- CAS
216167-92-9- Standard SMILES
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OCC(=O)O)c(C(C)(C)C)c1- InChIKey
FGBGXESDYFKUFX-UHFFFAOYSA-N- Molecular formula
- C33H50O4S2
- Average molar mass
- 574.9 g/mol
- Monoisotopic mass
- 574.31505242
Overview
Camobucol is a small molecule drug. Camobucol has a monoisotopic molecular weight of 574.32 Da.
Names & identifiers
- Preferred name
- Camobucol
- IUPAC
- 2-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]acetic acid
- English name
- CAMOBUCOL
- Molecular formula
- C33H50O4S2
- Molecular weight
- 574.88
Names & synonyms
Camobucol216167-92-9AGIX-4207FZ7798X3IRDTXSID70176004camobucolumylgucpd100bdhRefChem:917955AGIX4207DTXCID8098495(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)acetic acidAGIX 4207
Show more names
Acetic acid,2-[4-[[1-[[3,5-bis(1,1-diMethylethyl)-4-hydroxyphenyl]thio]-1-Methylethyl]thio]-2,6-bis(1,1-diMethylethyl)phenoxy]-
2-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]acetic acidAcetic acid, (4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)-UNII-FZ7798X3IRCAMOBUCOL [INN]Camobucol (USAN/INN)Camobucol [USAN:INN]CAMOBUCOL [USAN]orb1707500
Database identifiers
- CAS
216167-92-9- PubChem CID
- 9875498
- DTXSID
DTXSID70176004- ChEMBL
CHEMBL2104958- UNII
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Melting point
- 164 · 164-165 °C
- Boiling point
- 622.6 · 622.6±55.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 3.23 · 3.23±0.10(Predicted)
- color
- White to yellow
- FDA UNII
- 7798 X3IR · FZ7798X3IR
Chemistry & industry
Applications
UsesTreatment of inflammatory diseases.
Suppliers12 total
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
2 records
Compound notes
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