Diperodon Hydrochloride
Basic information
- CAS
537-12-2- Standard SMILES
Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1- InChIKey
OWULVAZDMWJBLB-UHFFFAOYSA-N- Molecular formula
- C22H28ClN3O4
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.1768341
Names & identifiers
- Preferred name
- Diperodon Hydrochloride
- IUPAC
- [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride
- English name
- Diperodon hydrochloride
- Molecular formula
- C22H28ClN3O4
- Molecular weight
- 433.93
Names & synonyms
DIPERODON HYDROCHLORIDE537-12-2Diperodon HClProctodonDiperocaineDiothane hydrochlorideDiperdon hydrochlorideDTXSID1045324NSC-760695YZ5R8I73YEINECS 208-659-8NSC 76069
Show more names
diothanehydrochlorideDiperodon hydrochloride,Inhibitor,inhibit,Diperodon3-piperidino-1,2-propanedioldicarbanilatehydrochloride3-(1-PIPERIDINYL)-1,2-PROPANEDIOL BIS(PHENYLCARBAMATE)3-(1-piperidyl)-1,2-propanedioldicarbanilatehydrochloride1,2-propanediol,3-piperidino-,dicarbanilate,hydrochloride
3-Piperidino-1,2-propanediol dicarbanilate hydrochloride3-(1-Piperidyl)-1,2-propanediol dicarbanilate hydrochlorideDTXCID9025324DIPERODON HYDROCHLORIDE [MI]DIPERODON HYDROCHLORIDE [VANDF]DIPERODON HYDROCHLORIDE [MART.]DIPERODON HYDROCHLORIDE [WHO-DD]1,2-Propanediol, 3-piperidino-, dicarbanilate, hydrochloride
Database identifiers
- CAS
537-12-2- PubChem CID
- 10830
- DTXSID
DTXSID1045324- ChEMBL
CHEMBL1456312- UNII
- 5YZ5R8I73Y
- EC Number
- 208-659-8
Properties
Computed structural properties
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
Collision Cross Section202.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 193 · 193-201°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- White
- FDA 21 CFR
- 310.545 · 310.545
- FDA UNII
- 5 YZ5R8I73Y · 5YZ5R8I73Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- TZ1101000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesanalgesic, antipyretic, antiinflammatory
UsesDiperodon Hydrochloride is an inhibitor of ebola virus (EBOV) and marburg virus (MARV) by an antiviral activity of the G protein-coupled receptor (GPCR) antagonist.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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