Basic information
- CAS
3563-58-4- Standard SMILES
CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl- InChIKey
QVFWZNCVPCJQOP-UHFFFAOYSA-N- Molecular formula
- C8H15Cl3O3
- Average molar mass
- 265.6 g/mol
- Monoisotopic mass
- 264.008677
Overview
Chloralodol is a tertiary alcohol.
Names & identifiers
- Preferred name
- Lora
- IUPAC
- 2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol
- English name
- chloralodol
- Molecular formula
- C8H15Cl3O3
- Molecular weight
- 265.56
Names & synonyms
ChloralodolCHLORHEXADOLLora3563-58-4CloralodolChloralodolumW8RD4N93R2DTXSID8022795RefChem:125255DTXCID302795N05CC02222-634-9
Show more names
2-Methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)-2-pentanol2-methyl-4-(2,2,2-trichloro-1-hydroxy-ethoxy)pentan-2-ol2-Pentanol, 2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)-
Mechloral2-Methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-olChloralodol [INN]MecoralMedodormChloralodol (INN)Cloralodol [INN-Spanish]Chloralodolum [INN-Latin]
Database identifiers
- CAS
3563-58-4- PubChem CID
- 19094
- DTXSID
DTXSID8022795- ChEMBL
CHEMBL2104116- ChEBI
CHEBI:135097- UNII
- W8RD4N93R2
- EC Number
- 222-634-9
- Nikkaji
- J8.144B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
DEA Schedule III Controlled Substance -> Depressants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Boiling Point304.7°Cat760mmHg
Physicochemical properties
- Melting point
- 102 · 102-104°
- Boiling point
- 304.7 · 304.7±37.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 10.73 · 10.73±0.20(Predicted)
- FDA UNII
- 8 RD4N93R2 · W8RD4N93R2
- ATC code
- 5 CC02 · N05CC02
- DEA Controlled Substances
- 2510 CSA · CSCN: 2510CSA SCH: Schedule IIINARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule III controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 2510CSA SCH: Schedule IIINARC: No
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
PharmacodynamicsChloral hydrate has sedative/hypnotic activity which has been shown to extend the sleep of normal made adults via a dose-response relationship. [1]
Applications
UsesMechloral is a hypnotic/sedative.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Additional notes
DefinitionChEBI: Chloralodol is a tertiary alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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