Basic information
- CAS
2624-43-3- Standard SMILES
CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1- InChIKey
GVOUFPWUYJWQSK-UHFFFAOYSA-N- Molecular formula
- C23H24O4
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.16745924
Overview
Cyclofenil is an organic molecular entity.
Names & identifiers
- Preferred name
- Cyclofenil
- IUPAC
- [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
- English name
- Cyclofenil
- Molecular formula
- C23H24O4
- Molecular weight
- 364.44
Names & synonyms
cyclofenil2624-43-3SexovidCyclophenilRehibinNeoclymICI 48213CiclofeniloF 6066Cyclofenilum4,4'-(Cyclohexylidenemethylene)diphenol diacetate esterDTXSID4022866
Show more names
cyclophenylh3452oginexondonidsexovarici48213fertodurondogynesexadieno
ICI-48213F-6066NSC-86464J468V64WZ1F6066Phenol, 4-((4-(acetyloxy)phenyl)cyclohexylidenemethyl)-, acetateDTXCID0028664-{[4-(acetyloxy)phenyl](cyclohexylidene)methyl}phenyl acetate
Database identifiers
- CAS
2624-43-3- PubChem CID
- 2898
- DTXSID
DTXSID4022866- ChEMBL
CHEMBL141305- ChEBI
CHEBI:31446- UNII
- J468V64WZ1
- EC Number
- 220-089-1
- Nikkaji
- J3.393F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 135 · 135-136°
- Boiling point
- 415.62 °C · 415.62°C (rough estimate)
- Density
- 1.0986 · 1.0986 (rough estimate)
- refractive index
- 1.4433 · 1.4433 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: 10 mg/mL at 60 °C, soluble
- form
- solid
- color
- White to Off-White
- CAS DataBase Reference
- 2624 · 2624-43-3(CAS DataBase Reference)
- FDA UNII
- 468 V64WZ1 · J468V64WZ1
- ATC code
- 3 GB01 · G03GB01
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
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Cyclofenil
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Safety data
- wgk
- 2
- rtecs
- GO7550000
- Toxicity
- LD50 oral in rat: > 12gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
ATC Code
G - Genito urinary system and sex hormones
QG - Genito urinary system and sex hormones
MeSH Pharmacological ClassificationCompounds which increase the capacity to conceive in females.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesCyclofenil is a weak nonsteroidal estrogen with ovulation induction properties. Mammalian hormone.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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