Basic information
- CAS
88133-11-3- Standard SMILES
CCOCCc1c(-c2ccccc2)nc(N)n2ncnc12- InChIKey
OZSPQIXKOVJJGE-UHFFFAOYSA-N- Molecular formula
- C15H17N5O
- Average molar mass
- 283.33 g/mol
- Monoisotopic mass
- 283.14331018
Overview
Bemitradine is a small molecule drug. Bemitradine has a monoisotopic molecular weight of 283.14 Da.
Names & identifiers
- Preferred name
- Bemitradine
- IUPAC
- 8-(2-ethoxyethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
- English name
- Bemitradine
- Molecular formula
- C15H17N5O
- Molecular weight
- 283.33
Names & synonyms
BEMITRADINE88133-11-3BemitradinaBemitradinumSC-33643DTXSID7020132LT9004D9N0(1,2,4)Triazolo(1,5-c)pyrimidin-5-amine, 8-(2-ethoxyethyl)-7-phenyl-8-(2-ethoxyethyl)-7-phenyl-1,2,4-triazolo-1,5c-pyrimidine-5-amineRefChem:916820DTXCID30132SC 33643
Show more names
[1,2,4]Triazolo[1,5-c]pyrimidin-5-amine, 8-(2-ethoxyethyl)-7-phenyl-8-(2-ethoxyethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine(WXG02302)
8-(2-ethoxyethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine5-Amino-8-(2-ethoxyethyl)-7-phenyl-s-triazolo(1,5-c)pyrimidine8-(2-Ethoxyethyl)-7-phenyl-(1,2,4)triazolo(1,5-c)pyrimidin-5-amine8-(2-ethoxyethyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amineBemitradine [USAN:INN]Bemitradinum [INN-Latin]Bemitradina [INN-Spanish]CCRIS 4512
Database identifiers
- CAS
88133-11-3- PubChem CID
- 55784
- DTXSID
DTXSID7020132- ChEMBL
CHEMBL2104026
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 2 · 2.00±0.30(Predicted)
- FDA UNII
- 9004 D9N0 · LT9004D9N0
Chemistry & industry
Applications
UsesAntihypertensive; diuretic.
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
10 records
Compound notes
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