Basic information
- CAS
5626-25-5- Standard SMILES
CCN(CC)CCN(CC)CC(=O)Nc1ccccc1Cl- InChIKey
MLUILGIMZAVBDU-UHFFFAOYSA-N- Molecular formula
- C16H26ClN3O
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1764402
Overview
Clodacaine is a small molecule drug. The usage of the INN stem '-caine' in the name indicates that Clodacaine is a local anaesthetic. Clodacaine has a monoisotopic molecular weight of 311.18 Da.
Names & identifiers
- Preferred name
- Clodacaine
- IUPAC
- N-(2-chlorophenyl)-2-[2-(diethylamino)ethyl-ethylamino]acetamide
- English name
- Clodacaine
- Molecular formula
- C16H26ClN3O
- Molecular weight
- 311.85
Names & synonyms
Clodacaine5626-25-5ClodacainaClodacaine [INN]ClodacainumUNII-H743H7R6YENSC-310106H743H7R6YENSC 310106DTXSID402048082'-Chloro-2-((2-(diethylamino)ethyl)ethylamino)acetanilide2'-Chloro-2-[[2-(diethylamino)ethyl]ethylamino]acetanilide
Show more names
Acetamide, N-(2-chlorophenyl)-2-[[2-(diethylamino)ethyl]ethylamino]-
RefChem:127020DTXCID30127299N-(2-chlorophenyl)-2-[2-(diethylamino)ethyl-ethylamino]acetamideNSC310106N-(2-Chlorophenyl)-2-((2-(diethylamino)ethyl)(ethyl)amino)acetamideMLS006010868SCHEMBL1814129CHEMBL2104109
Database identifiers
- CAS
5626-25-5- PubChem CID
- 58616
- DTXSID
DTXSID40204808- ChEMBL
CHEMBL2104109- UNII
- H743H7R6YE
- Nikkaji
- J8.031D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 158 °C · 158 °C(Press: 0.1 Torr)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 13.28 · 13.28±0.70(Predicted)
- FDA UNII
- 743 H7R6YE · H743H7R6YE
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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