Basic information
- CAS
38452-29-8- Standard SMILES
COc1cc(C)c(S(C)=O)cc1OC- InChIKey
OZNTVIXYGTUPJY-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Overview
structure
Names & identifiers
- Preferred name
- Tolmesoxide
- IUPAC
- 1,2-dimethoxy-4-methyl-5-methylsulfinylbenzene
- English name
- Tolmesoxide
- Molecular formula
- C10H14O3S
- Molecular weight
- 214.28
Names & synonyms
Tolmesoxide38452-29-8TolmesoxidoTolmesoxidumHHR1KHP34NNSC-3212771,2-Dimethoxy-4-methyl-5-(methylsulfinyl)benzeneRefChem:1902944,5-dimethoxy-o-tolyl methylsulfoxide1,2-dimethoxy-4-methyl-5-methylsulfinylbenzene4,5-Dimethoxy-2-(methylsulfinyl)toluene1-methanesulfinyl-4,5-dimethoxy-2-methylbenzene
Show more names
Benzene, 1,2-dimethoxy-4-methyl-5-(methylsulfinyl)-
RX 71107Tolmesoxidum [INN-Latin]Tolmesoxide [INN:BAN]UNII-HHR1KHP34NTolmesoxido [INN-Spanish]TOLMESOXIDE [INN]orb2564702SCHEMBL2109962
Database identifiers
- CAS
38452-29-8- PubChem CID
- 72153
- DTXSID
DTXSID80865917- ChEMBL
CHEMBL1097904- UNII
- HHR1KHP34N
- EC Number
- 962-222-2
- Nikkaji
- J15.817H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 364 · 364.0±42.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- FDA UNII
- 1 KHP34N · HHR1KHP34N
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesTolmesoxide (RX71107) is a peripheral vascular dilator with blood pressure lowering activity. Tolmesoxide has shown direct vasodilation in the human forearm arterial bed and dorsal hand vein. Tolmesoxide can dose-dependently increase blood flow in the forearm and produce dilation during contraction of the dorsal hand veins. Tolmesoxide can be used to study high blood pressure and angina[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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