Basic information
- CAS
6443-50-1- Standard SMILES
COc1cccc(OC(C)CN=C(N)Cc2cccc(C)c2)c1- InChIKey
JRYTUFKIORWTNI-UHFFFAOYSA-N- Molecular formula
- C19H24N2O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.18377801
Overview
structure
Names & identifiers
- Preferred name
- Xylamidine
- IUPAC
- N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide
- English name
- xylamidine
- Molecular formula
- C19H24N2O2
- Molecular weight
- 312.41
Names & synonyms
xylamidine6443-50-1NY0PC84NZKBenzeneethanimidamide, N-(2-(3-methoxyphenoxy)propyl)-3-methyl-DTXSID90863843Benzeneethanimidamide, N-[2-(3-methoxyphenoxy)propyl]-3-methyl-RefChem:195404DTXCID50812418N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamideUNII-NY0PC84NZKorb1694795SCHEMBL2107805
Show more names
XylaMidine TFAIRPROAMQZQKWFL-UHFFFAOYSA-NN-[2-(m-Methoxyphenoxy)propyl]-2-m-tolylacetamidineN1-[2-(m-Methoxyphenoxy)propyl]-2-(m-tolyl)acetamidine
CHEMBL2110630SCHEMBL31307218PDSP1_001352PDSP2_001336AKOS040754478HY-101480T35195Q8045338
Database identifiers
- CAS
6443-50-1- PubChem CID
- 22951
- DTXSID
DTXSID90863843- ChEMBL
CHEMBL2110630
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- FDA UNII
- 0 PC84NZK · NY0PC84NZK
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.
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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