Basic information
- CAS
94724-12-6- Standard SMILES
CNCCc1ccc(OC)c(Cc2cc(CCNC)cc(Cc3cc(CCNC)ccc3OC)c2OC)c1- InChIKey
DXEVTBAWIGXNAW-UHFFFAOYSA-N- Molecular formula
- C32H45N3O3
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.34609231
Names & identifiers
- Preferred name
- 1-(2-Methylaminoethyl)-4-methoxy-3,5-bis((2-methoxy-5-(2-methylaminoethyl)phenyl)methyl)benzene
- IUPAC
- 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine
- English name
- CALMIDAZOLIUM CHLORIDE
- Molecular formula
- C32H45N3O3
- Molecular weight
- 519.72
Names & synonyms
94724-12-61-(2-Methylaminoethyl)-4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]benzene1-(2-Methylaminoethyl)-4-methoxy-3,5-bis((2-methoxy-5-(2-methylaminoethyl)phenyl)methyl)benzeneRefChem:223723compound 48/80Compound 48/80 (trimer)2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine6IBGTPL5531SCHEMBL14270291DTXSID60915348AKOS040758486
Show more names
Poly-p-methoxyphenethylmethylamineR 24571CALMIDAZOLIUMCOMPOUND R24571R 24571 CHLORIDECALMIDAZOLIUM CHLORIDECALMODULIN INHIBITOR R 24571COMPOUND 48/80 TRIHYDROCHLORIDECompound 48/80 trihydrochloride, G protein activator
HY-115768ADA-62450HY-115768CS-0255613CS-1049097H27814Q270766632,2'-({2-Methoxy-5-[2-(methylamino)ethyl]-1,3-phenylene}bis[methylene(4-methoxy-3,1-phenylene)])bis(N-methylethan-1-amine)
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 630.9 · 630.9±50.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL
- pka
- 10.81 · 10.81±0.10(Predicted)
- form
- solid
- color
- white
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 22 · 22-24/25-45-36/37
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- F
- 3 · 3-8-10
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
- F
- 3-8-10
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 22-24/25-45-36/37
Chemistry & industry
Applications
UsesCompound 48/80 (Poly-p-methoxyphenethylmethylamine) is widely used in animal and tissue models as a "selective" mast cell activator. Compound 48/80 acts at the mast cell membrane to stimulate trimeric G-proteins and induces degranulation via phospholipase C and D pathways[1][2].
Suppliers8 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…