Opipramol
Basic information
- CAS
315-72-0- Standard SMILES
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1- InChIKey
YNZFUWZUGRBMHL-UHFFFAOYSA-N- Molecular formula
- C23H29N3O
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.23106256
Overview
2-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]-1-piperazinyl]ethanol is a dibenzoazepine.
Names & identifiers
- Preferred name
- Opipramol
- IUPAC
- 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
- English name
- OPIPRAMOL
- Molecular formula
- C23H29N3O
- Molecular weight
- 363.5
Names & synonyms
Opipramol315-72-0OpipramolumOpipramol dura2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanolNSC-169867D23ZXO613C4-(3-(5H-Dibenz(b,f)azepin-5-yl)propyl)-1-piperazineethanol4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol1-Piperazineethanol, 4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-1-PIPERAZINEETHANOL, 4-(3-(5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-DTXSID3023394
Show more names
G-33040GR-33040OpramidolNSC 169867Opipramol in acetonitrileN-[3-[4-(2-hydroxyethyl)piperazino]propyl]iminostilbene4-(3-(DIBENZ(B,F)AZEPIN-5-YL)PROPYL)-1-PIPERAZINEETHANOL1-Piperazineethanol, 4-3-(5H-dibenzb,fazepin-5-yl)propyl-
Opipramolo2-(4-(3-benzo(b)(1)benzazepin-11-ylpropyl)piperazin-1-yl)ethanolRefChem:168394DTXCID203394N06AA052-(4-(3-(2-azatricyclo(9.4.0.0^(3,8))pentadeca-1(15),3,5,7,9,11,13-heptaen-2-yl)propyl)piperazin-1-yl)ethan-1-ol206-254-0Nisidana
Database identifiers
- CAS
315-72-0- PubChem CID
- 9417
- DTXSID
DTXSID3023394- ChEMBL
CHEMBL370753- ChEBI
CHEBI:94614- UNII
- D23ZXO613C
- EC Number
- 206-254-0
- Nikkaji
- J8.634G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Stimulants
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
LogP3.0
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antidepressive Agents, Tricyclic; Adrenergic Uptake Inhibitors
Pharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 100 · 100-1010C
- Boiling point
- 494.88 °C · 494.88°C (rough estimate)
- Density
- 1.092 · 1.0920 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetonitrile: slightly soluble; Chloroform: slightly soluble; Methanol: slightly soluble
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Opipramol (EC: 206-254-0)
1-Piperazineethanol, 4-3-(5H-dibenzb,fazepin-5-yl)propyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- wgk
- 1
- rtecs
- TL8750000
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.
Drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants (ANTIDEPRESSIVE AGENTS, TRICYCLIC) and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10000
Use ClassificationPharmaceuticals
Applications
UsesAntidepressant; antipsychotic
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]-1-piperazinyl]ethanol is a dibenzoazepine.
Suppliers
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Related reactions
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Compound notes
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