Basic information
- CAS
98123-66-1- Standard SMILES
O=C(C1CCCCC1)N1CC(=O)N2CCCc3ccccc3C2C1- InChIKey
LGUDKOQUWIHXOV-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942807
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Epsiprantel
- IUPAC
- 2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
- English name
- Epsiprantel
- Molecular formula
- C20H26N2O2
- Molecular weight
- 326.437
Names & synonyms
Epsiprantel98123-83-2CestexEpsiprantelumDTXSID30578580C1SPQ0FSRBRL38705BRL-38705DTXCID0031392Pyrazino[2,1-a][2]benzazepin-4(1H)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-PYRAZINO(2,1-A)(2)BENZAZEPIN-4(1H)-ONE, 2-(CYCLOHEXYLCARBONYL)-2,3,6,7,8,12B-HEXAHYDRO-RefChem:56626
Show more names
Pyrazino2,1-a2benzazepin-4(1H)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-4-cyclohexanecarbonyl-4,7-diazatricyclo[9.4.0.0,2,7]pentadeca-1(15),11,13-trien-6-one2-(cyclohexanecarbonyl)-1,2,3,7,8,12b-hexahydrobenzo[c]pyrazino[1,2-a]azepin-4(6H)-one
Epsiprantel, (+)-WUC74DW9SNEpsiprantel, (-)-UNII-WUC74DW9SNBRL 38705JU2X6K5BL32-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-oneEpsiprantel (INN)
Database identifiers
- CAS
98123-66-1、98123-67-2、98123-83-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
Animal DrugsActive Ingredients (Epsiprantel) -> FDA Greenbook
Physicochemical properties
- Melting point
- 189 · 189-190°
- Boiling point
- 553.7 · 553.7±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- -0.97 · -0.97±0.20(Predicted)
- FDA UNII
- 0 C1SPQ0FSR · 0C1SPQ0FSR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationEpsiprantel: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H412-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P501
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
Uses & manufacturing
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Applications
UsesEpsiprantel (BRL-38705) is a compound with anti-Echinococcus activity that can cause the death of protoscolex, larvae and adults in vitro, and is more effective against mature worms than larvae in vivo, with no side effects.
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
2 records
Compound notes
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