Basic information
- CAS
24527-27-3- Standard SMILES
O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1- InChIKey
CFOYBMUYCBSDAL-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3OS2
- Average molar mass
- 446 g/mol
- Monoisotopic mass
- 445.1049324
Overview
Spiclomazine is a member of phenothiazines.
Names & identifiers
- Preferred name
- Spiclomazine
- IUPAC
- 8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
- English name
- spiclomazine
- Molecular formula
- C22H24ClN3OS2
- Molecular weight
- 446.03
Names & synonyms
Spiclomazine24527-27-3ClospirazineEspiclomazinaSpiclomazinumDTXSID9043851G2V8248111RefChem:184680DTXCID7023851246-298-8Spiclomazine [INN]8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Show more names
Spiclomazine free base
NSC2909568-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]-1-THIA-4,8-DIAZASPIRO[4.5]DECAN-3-ONESpiclomazinum [INN-Latin]Espiclomazina [INN-Spanish]8-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-1-thia-4,8-diazaspiro[4.5]decan-3-oneUNII-G2V8248111Clospirazine; 8-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-oneEINECS 246-298-8
Database identifiers
- CAS
24527-27-3- PubChem CID
- 65714
- DTXSID
DTXSID9043851- ChEMBL
CHEMBL1483796- ChEBI
CHEBI:135727- UNII
- G2V8248111
- EC Number
- 246-298-8
- Nikkaji
- J16.716I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Melting point
- 154 · 154-156° (acetone)
- Boiling point
- 695.3 · 695.3±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.91 · 15.91±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 2 V8248111 · G2V8248111
Chemistry & industry
Applications
UsesSpiclomazine is a phenothiazine derivative that inhibits human platelet type B monoaine oxidase(MAO).
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: Spiclomazine is a member of phenothiazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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