Basic information
- CAS
61120-81-8- Standard SMILES
CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
WAVWONFNDBPAGA-UHFFFAOYSA-N- Molecular formula
- C31H44ClN3O2S
- Average molar mass
- 558.2 g/mol
- Monoisotopic mass
- 557.2842765
Overview
Perphenazine decanoate is a member of phenothiazines.
Names & identifiers
- Preferred name
- 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl decanoate
- IUPAC
- 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl decanoate
- English name
- 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl decanoate
- Molecular formula
- C31H44ClN3O2S
- Molecular weight
- 558.22
Names & synonyms
Perphenazine decanoate61120-81-8RHE0987NHEDTXSID002100062-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl decanoateRefChem:171846DTXCID60132497262-615-22-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl decanoateUNII-RHE0987NHEEINECS 262-615-2Trilafon dekanoat (TN)
Show more names
2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl decanoateDecanoic acid 2-[4-[3-(2-chloro-10H-phenothiazine 1-yl)propyl]-1-piperazinyl]ethyl esterDecanoic acid, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester
CHEBI:177469WAVWONFNDBPAGA-UHFFFAOYSA-NPERPHENAZINE DECANOATE [WHO-DD]2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl decanoateNS00020851D08341Q27288121DECANOIC ACID, 2-(4-(3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL)-1-PIPERAZINYL)ETHYL ESTER
Database identifiers
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 660.3 · 660.3±55.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.10(Predicted)
- FDA UNII
- 987 NHE · RHE0987NHE
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 318 · H318-H330-H361-H317-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS05,GHS06
- Hazard statements
- H318-H330-H361-H317-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Suppliers3 total
武汉云尚本草医药有限公司13816696056 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Perphenazine decanoate is a member of phenothiazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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