Basic information
- CAS
6443-40-9- Standard SMILES
COc1cccc(OC(C)C[NH2+]C(=N)Cc2cccc(C)c2)c1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
FRJLUWKYXWADTA-UHFFFAOYSA-N- Molecular formula
- C26H32N2O5S
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.2031933
Names & identifiers
- Preferred name
- Xylamidine Tosylate Anhydrous
- IUPAC
- 2-(3-methoxyphenoxy)propyl-[2-(3-methylphenyl)ethanimidoyl]azanium;4-methylbenzenesulfonate
- English name
- Troxypyrrolium tosilate
- Molecular formula
- C26H32N2O5S
- Molecular weight
- 484.60768
Names & synonyms
RefChem:1954054ZF9UZ56C76443-40-9N-(2-(3-methoxyphenoxy)propyl)-m-tolylacetamidine tosylateXylamide tosilateXylamidine tosilateXylamidine tosilate anhydrousXylamidine tosylateXylamidine Tosylate Anhydrous2-(3-methoxyphenoxy)propyl-[2-(3-methylphenyl)ethanimidoyl]azanium;4-methylbenzenesulfonateNS00122643Q27260711
Show more names
TroxypyrroliumTroxypyrrolium tosilate
Database identifiers
- CAS
6443-40-9- PubChem CID
- 22950
- ChEMBL
CHEMBL2104517
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- FDA UNII
- 4 ZF9UZ56C7 · 4ZF9UZ56C7
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesSerotonin inhibitor.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
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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