Nefopam

HCID 4450CAS 13669-70-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCOC(c2ccccc2)c2ccccc2C1
InChIKey
RGPDEAGGEXEMMM-UHFFFAOYSA-N
Molecular formula
C17H19NO
Average molar mass
253.34 g/mol
Monoisotopic mass
253.14666423

Overview

5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a tertiary amino compound and a benzoxazocine.

Names & identifiers

Preferred name
Nefopam
IUPAC
5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
English name
3-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene
Molecular formula
C17H19NO
Molecular weight
253.34

Names & synonyms

nefopam13669-70-0FenazoxineNefopamum1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-4UP8060B7JDTXSID20485353,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocinNefopam, SilentanRefChem:832138DTXCID8028002CHEBI:88316
Show more names
HCL NefopamNefopanNefopami(?)-NefopamNEFOPAMI HCLInduced insectNefopam HCL CP2000Nefopanhydrochloride
N02BG061H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-(8CI,9CI)237-148-25-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocineCHEBI:883183-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene

Database identifiers

CAS
13669-70-0、23327-57-3
PubChem CID
4450
DTXSID
DTXSID2048535
ChEMBL
CHEMBL465026
ChEBI
CHEBI:88318
UNII
4UP8060B7J
EC Number
237-148-2
Nikkaji
J8.442E

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

Experimental & physicochemical properties

LogP3.02
Human Drugs · 2 items

Breast Feeding; Lactation; Milk, Human; Analgesics, Non-Narcotic

Pharmaceuticals

Collision Cross Section · 3 items

157.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

157.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]

160.85 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Boiling point
396.54 °C · 396.54°C (rough estimate)
Density
1.0078 · 1.0078 (rough estimate)
refractive index
1.54 · 1.5400 (estimate)
storage temp.
2 · 2-8°C
pka
9.16 · 9.16±0.70(Predicted)
CAS DataBase Reference
13669 · 13669-70-0(CAS DataBase Reference)

Safety & regulation

Hazard information

Other Safety InformationIMAP assessments - 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-: Human health tier I assessment

Toxicology

Drug Induced Liver Injury · 4 items

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Nefopam

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Chemistry & industry

Pharmacology

ATC Code · 3 items

N02BG06

N - Nervous system

QN - Nervous system

MeSH Pharmacological ClassificationA subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.

Uses & manufacturing

Use ClassificationPharmaceuticals

Applications

UsesNefopam is a non-opioid non-steroidal centrally acting analgesic.

Upstream & downstream products

Suppliers45 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a benzoxazocine and a tertiary amino compound.

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