Basic information
- CAS
391-70-8- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
AJIXENUYZFYPEY-UHFFFAOYSA-M- Molecular formula
- C25H37NO8S
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.22398831
Names & identifiers
- Preferred name
- Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate
- IUPAC
- 4-methylbenzenesulfonate;triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium
- English name
- Troxonium
- Molecular formula
- C25H37NO8S
- Molecular weight
- 511.63
Names & synonyms
Tosilate de troxonium [INN-French]Troxonii tosilas [INN-Latin]Tosilato de troxonio [INN-Spanish]NSC 96643Troxonium tosilate [INN:BAN]SCHEMBL29634158UNII-02X87P827KTriethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylateTriethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium p-toluenesulfateAKOS026745442Ammonium, triethyl(2-hydroxyethyl)-, p-toluenesulfonate, 2,3,4-trimethoxybenzoate (ester)Ammonium, triethyl(2-hydroxyethyl)-, p-toluenesulfonate, 3,4,5-trimethoxybenzoate
Show more names
TroxoniumN,N,N-Triethyl-2-((3,4,5-trimethoxybenzoyl)oxy)ethan-1-aminium 4-methylbenzenesulfonate
Ethanaminium, N,N,N-triethyl-2-((3,4,5-trimethoxybenzoyl)oxy)-, salt with 4-methylbenzenesulfonic acid (1:1)NS00127010Q27231554N,N,N-Triethyl-2-[(2,3,4-trimethoxybenzoyl)oxy]ethan-1-aminium 4-methylbenzene-1-sulfonate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- FDA UNII
- 2 X87P827K · 02X87P827K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Toxicity
- 50 oral · LD50 oral in mouse: 850mg/kg
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
- Toxicity
- LD50 oral in mouse: 850mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…