Basic information
- CAS
485-34-7- Standard SMILES
CCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12- InChIKey
BUDBHJPMAKXMLD-UHFFFAOYSA-N- Molecular formula
- C19H17NO2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12592879
Overview
Neocinchophen is a small molecule drug. Neocinchophen has a monoisotopic molecular weight of 291.13 Da.
Names & identifiers
- Preferred name
- Neocinchophen
- IUPAC
- ethyl 6-methyl-2-phenylquinoline-4-carboxylate
- English name
- neocinchophen
- Molecular formula
- C19H17NO2
- Molecular weight
- 0
Names & synonyms
NeocinchophenTolysinNeoquinophanNovatophanNeoatophanNeocincophenNeomagnephenNeophanNeu-nylofanolNovo-rheumatophinNeocincofeno485-34-7
Show more names
NEOCINCHOPHEN USP/EP/BPETHYL 6-METHYL-2-PHENYLQUINOLINECARBOXYLATE6-Methyl-2-phenyl-4-quinolinecarboxylic acid ethyl ester
NeocinchopheneNeocincopheneEthyl 2-phenyl-6-methylcinchoninate6-Methylcinchophen, ethyl esterNeocinchophenumEthyl 6-methyl-2-phenylcinchoninateEthyl 6-methyl-2-phenyl-4-quinolinecarboxylateNeocincofeno [INN-Spanish]
Database identifiers
- CAS
485-34-7- PubChem CID
- 68089
- DTXSID
DTXSID2046250- ChEMBL
CHEMBL1370602- UNII
- 539M941Y9O
- EC Number
- 207-615-5
- Nikkaji
- J5.998F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- FDA UNII
- 539 M941Y9O · 539M941Y9O
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
北京百奥创新科技有限公司15522676233 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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