Basic information
- CAS
50528-97-7- Standard SMILES
Cc1cccc(C)c1NC(=O)N=C1CCCN1C- InChIKey
PAXRPWSXCPTPCA-UHFFFAOYSA-N- Molecular formula
- C14H19N3O
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.15281223
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Xilobam
- IUPAC
- 1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
- English name
- Xilobam
- Molecular formula
- C14H19N3O
- Molecular weight
- 245.32
Names & synonyms
XILOBAMXilobamumMcN-3113Q53S20XGPU50528-97-71-(1-Methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)ureaN-(2,6-Dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)ureaRefChem:934328DTXCID1026164DTXSID3046164McN 31131-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Show more names
1-(1-Methylpyrrolidin-2-ylidene)-3-(2,6-xylyl)ureaUrea, N-(2,6-dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea hydrochloride
XILOBAM [USAN]Xilobam [USAN:INN]Xilobamum [INN-Latin]UNII-Q53S20XGPUBRN 0406212XILOBAM [INN]MLS006011491SCHEMBL121668
Database identifiers
- CAS
50528-97-7- PubChem CID
- 39689
- DTXSID
DTXSID10860612- ChEMBL
CHEMBL382769、CHEMBL4303146- UNII
- Q53S20XGPU
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 119.5 °C · 119.5°C
- Boiling point
- 388.28 °C · 388.28°C (rough estimate)
- Density
- 1.0516 · 1.0516 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- FDA UNII
- 53 S20XGPU · Q53S20XGPU
Chemistry & industry
Applications
UsesRelaxant (muscle).
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
3 records
Compound notes
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