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Basic information
- CAS
183293-82-5- Standard SMILES
CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O- InChIKey
SDMBRCRVFFHJKR-UHFFFAOYSA-N- Molecular formula
- C16H30O5
- Average molar mass
- 302.411 g/mol
- Monoisotopic mass
- 302.20932406
Names & identifiers
- Preferred name
- Gemcabene
- IUPAC
- 6,6'-Oxybis(2,2-dimethylhexanoic acid)
- English name
- 6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid
- Molecular formula
- C16H30O5
- Molecular weight
- 302.41
Names & synonyms
gemcabenePD-72953Gemcabene, 10 mM in DMSO6,6'-Oxybis(2,2-dimethylhexanoic) acidHexanoic acid, 6,6'-oxybis[2,2-dimethyl-Gemcabene,Inhibitor,PD72953,inhibit,PD 729536-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic acid6-(5-carboxy-5-methyl-hexyloxy)-2,2-dimethyl-hexanoic acid
Database identifiers
- CAS
183293-82-5- PubChem CID
- 157692
- DTXSID
DTXSID60171407- ChEMBL
CHEMBL2110686- UNII
- B96UX1DDKS
- Nikkaji
- J934.344J
Properties
Physicochemical properties
- Melting point
- 49 · 49-51 °C
- Boiling point
- 453.6 · 453.6±30.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: ≥ 125 mg/mL (413.35 mM)
- pka
- 4.52 · 4.52±0.45(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- 1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
- InChIKey
- SDMBRCRVFFHJKR-UHFFFAOYSA-N
- SMILES
- O=C(O)C(CCCCOCCCCC(C(O)=O)(C)C)(C)C
- FDA UNII
- 96 UX1DDKS · B96UX1DDKS
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAtherosclerosis therapy; treatment of lipoprotein disorders.
Suppliers17 total
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]
BOC Sciences16314854226; +8616314854226 · [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0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
苏州冉酶生物科技有限公司0512-0512-62793604 18015430729 · [email protected]
上海智乾生物科技有限公司[email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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