2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-1-yl)phenoxy)-, hydrochloride (1:1)
Basic information
- CAS
55050-96-9- Standard SMILES
CC(C)NCC(O)COc1ccccc1-n1cccc1.Cl- InChIKey
DCOXRJZVVPMXLY-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-1-yl)phenoxy)-, hydrochloride (1:1)
- IUPAC
- 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol;hydrochloride
- English name
- isamoltane
- Molecular formula
- C16H23ClN2O2
- Molecular weight
- 310.82
Names & synonyms
Isamoltane214SP5P1EXCGP-361AISAMOLTAN HYDROCHLORIDE2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-1-yl)phenoxy)-, monohydrochloride1-(2-(1-Pyrrolyl)phenoxy)-3-isopropylamine-2-propanol hcl2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-, HYDROCHLORIDE (1:1)RefChem:91023199740-06-4Cgp 361A55050-96-9DTXSID00912513
Show more names
Isamoltane hydrochloride1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
UNII-214SP5P1EXorb1741305SCHEMBL106979901-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol;hydrochlorideT68176Q60787562-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-1-yl)phenoxy)-, hydrochloride1-[(Propan-2-yl)amino]-3-[2-(1H-pyrrol-1-yl)phenoxy]propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
55050-96-9、99740-06-4- PubChem CID
- 127403
Properties
Computed structural properties
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- FDA UNII
- 214 SP5P1EX · 214SP5P1EX
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate SEROTONIN 5-HT1 RECEPTORS, thereby blocking the actions of SEROTONIN 5-HT1 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more of the specific 5-HT1 receptor subtypes.
Applications
UsesIsamoltane hemifumarate is a selective SR-1B antagonist.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…