Basic information
- CAS
57942-72-0- Standard SMILES
Clc1ccc2c(c1)N(CCCN1CCN(C3C4CC5CC(C4)CC3C5)CC1)c1ccccc1S2- InChIKey
YEGURFOMLAJGMB-UHFFFAOYSA-N- Molecular formula
- C29H36ClN3S
- Average molar mass
- 494.1 g/mol
- Monoisotopic mass
- 493.231847
Overview
10-[3-[4-(2-adamantyl)-1-piperazinyl]propyl]-2-chlorophenothiazine is a member of phenothiazines.
Names & identifiers
- Preferred name
- Adapiprazine
- IUPAC
- 10-[3-[4-(2-adamantyl)piperazin-1-yl]propyl]-2-chlorophenothiazine
- English name
- 10H-Phenothiazine, 2-chloro-10-[3-(4-tricyclo[3.3.1.13,7]dec-2-yl-1-piperazinyl)propyl]-
- Molecular formula
- C29H36ClN3S
- Molecular weight
- 494.13
Names & synonyms
Adapiprazine57942-72-0DTXSID00206646RefChem:109652DTXCID3012913710-[3-[4-(2-adamantyl)piperazin-1-yl]propyl]-2-chlorophenothiazine2-Chloro-10-(3-(4-adamant-2-ylpiperazinyl)propyl)phenothiazineorb1703829CHEBI:125468AKOS0407454812-Chloro-10-(3-(4-tricyclo(3.3.1.1(3,7))dec-2-yl-1-piperazinyl)propyl)-10H-phenothiazineCS-0088863
Show more names
10H-Phenothiazine, 2-chloro-10-[3-(4-tricyclo[3.3.1.13,7]dec-2-yl-1-piperazinyl)propyl]-
T23630BRD-K02410399-001-01-1Q2721608710-[3-[4-(2-adamantyl)-1-piperazinyl]propyl]-2-chlorophenothiazine10-{3-[4-(ADAMANTAN-2-YL)PIPERAZIN-1-YL]PROPYL}-2-CHLORO-10H-PHENOTHIAZINE10H-Phenothiazine, 2-chloro-10-(3-(4-tricyclo(3.3.1.1(3,7))dec-2-yl-1-piperazinyl)propyl)-
Database identifiers
- CAS
57942-72-0- PubChem CID
- 62872
- DTXSID
DTXSID00206646
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Melting point
- 139 · 139-141 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 635.4 · 635.4±55.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 7.88 · 7.88±0.70(Predicted)
Chemistry & industry
Applications
DescriptionAdapiprazine is a prochlorperazine with methyl group replaced by an adamantyl grou[ that works as an anesthetic drug.
UsesAdapiprazine is a methyl-replaced Prochlorperazine, which has immunosuppressive and anesthetic effects[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: 10-[3-[4-(2-adamantyl)-1-piperazinyl]propyl]-2-chlorophenothiazine is a member of phenothiazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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