Basic information
- CAS
95847-87-3- Standard SMILES
O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(c2ncccn2)CC1- InChIKey
MPLTZRTXQLNGED-UHFFFAOYSA-N- Molecular formula
- C18H21N5O3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.13651072
Overview
Revospirone is a small molecule drug. The usage of the INN stem '-pirone' in the name indicates that Revospirone is a anxiolytic, buspirone derivative. Revospirone has a monoisotopic molecular weight of 387.14 Da.
Names & identifiers
- Preferred name
- Revospirone
- IUPAC
- 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one
- English name
- Revospirone
- Molecular formula
- C18H21N5O3S
- Molecular weight
- 387.462
Names & synonyms
RevospironeRevospironaRevospironumRevospirone [INN:BAN]Revospironum [INN-Latin]Revospirona [INN-Spanish]UNII-6X8764TW2J6X8764TW2JREVOSPIRONE [INN]Bay Vq 7813DTXSID10241982Revospironum (INN-Latin)
Show more names
1,2-Benzisothiazol-3(2H)-one,2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-, 1,1-dioxide
Revospirona (INN-Spanish)1,2-Benzisothiazol-3(2H)-one, 2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-, 1,1-dioxide1,2-Benzisothiazol-3(2H)-one, 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-, 1,1-dioxideRefChem:179037DTXCID4016447395847-87-3Revospirone (~90%)1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one
Database identifiers
- CAS
95847-87-3- PubChem CID
- 72024
- DTXSID
DTXSID10241982- ChEMBL
CHEMBL2107024- UNII
- 6X8764TW2J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Light Orange to Orange
- FDA UNII
- 6 X8764TW2J · 6X8764TW2J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesRevospirone is a novel 5-HT1A receptor agonist that produces pharmacologically active metabolite 1-Pyrimidinylpiperazine (1-PP).
Suppliers1 total
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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