Basic information
- CAS
17528-28-8- Standard SMILES
CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
PWEGQJCIAMJJHC-UHFFFAOYSA-N- Molecular formula
- C28H38ClN3O2S
- Average molar mass
- 516.1 g/mol
- Monoisotopic mass
- 515.2373263
Overview
structure in Negwer, 5th ed, #5682
Names & identifiers
- Preferred name
- 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl heptanoate
- IUPAC
- 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl heptanoate
- English name
- 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl]ethyl heptanoate
- Molecular formula
- C28H38ClN3O2S
- Molecular weight
- 516.14
Names & synonyms
Perphenazine enanthatePerphenazine enantate17528-28-8Z6RS3DKN8JDTXSID40169963RefChem:860372DTXCID50924542-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl heptanoate241-529-92-[4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL]ETHYL HEPTANOATEUNII-Z6RS3DKN8J2-{4-[3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL}ETHYL HEPTANOATE
Show more names
Heptanoic acid 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl]ethyl esterHeptanoic acid, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester
2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethyl heptanoateEINECS 241-529-92-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl heptanoateSCHEMBL31648578PWEGQJCIAMJJHC-UHFFFAOYSA-NPERPHENAZINE ENANTATE [MART.]PERPHENAZINE ENANTATE [WHO-DD]DB14651
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Boiling point
- 632 · 632.0±55.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.10(Predicted)
- FDA UNII
- 6 RS3DKN8J · Z6RS3DKN8J
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361-H317-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 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
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H361-H317-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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