Basic information
- CAS
88431-47-4- Standard SMILES
O=C(O)C1(CCCCCc2ccc(Cl)cc2)CO1- InChIKey
ACZKTJZXXSHIGF-UHFFFAOYSA-N- Molecular formula
- C14H17ClO3
- Average molar mass
- 268.73 g/mol
- Monoisotopic mass
- 268.0866221
Names & identifiers
- Preferred name
- Clomoxir
- IUPAC
- 2-[5-(4-chlorophenyl)pentyl]oxirane-2-carboxylic acid
- English name
- 2-[5-(4-Chlorophenyl)pentyl]oxirane-2-carboxylic acid
- Molecular formula
- C14H17ClO3
- Molecular weight
- 268.74
Names & synonyms
Clomoxir88431-47-4Clomoxir [INN]ClomoxirumClomoxirum [INN-Latin]UNII-PD884XOZ9FPD884XOZ9F(RS)-2-(5-(4-Chlorphenyl)pentyl)-2-oxirancarbonsaeureClomoxirum (INN-Latin)(+-)-2-(5-(p-Chlorophenyl)pentyl)glycidic acidRefChem:127058Clomifenecitrate
Show more names
CLOMIDCLOMPHIDSEROPHENEPERGOTIMEclomipene citrateCLOMIPHENE CITRATE SALTClomifen Citrate (Clomid)Clomiphene Citrate 88431-47-4
2-[5-(4-chlorophenyl)pentyl]oxirane-2-carboxylic acidSCHEMBL112980orb1741035CHEMBL1204686DTXSID70869005NS00120032F17352T68445
Database identifiers
- CAS
88431-47-4- PubChem CID
- 54221
- DTXSID
DTXSID70869005- ChEMBL
CHEMBL1204686- UNII
- PD884XOZ9F
- Nikkaji
- J22.920B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 411.5 · 411.5±35.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.66 · 3.66±0.20(Predicted)
- FDA UNII
- 884 XOZ9F · PD884XOZ9F
- Hazard Codes
- T
- Risk Statements
- 60 · 60-63
- Safety Statements
- 53 · 53-36/37-45
- WGK Germany
- 3 · 3
- RTECS
- 875000 · YE0875000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- YE0875000
- risk_code
- 60-63
- hazard_code
- T
- safety_code
- 53-36/37-45
Chemistry & industry
Applications
Uses2-[5-(4-Chlorophenyl)pentyl]oxirane-2-carboxylic acid can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
General DescriptionClomiphene citrate, 2-[4(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine(Clomid), is used as an ovulation stimulant inwomen desiring pregnancy. Although early literature refersto clomiphene as an estrogen antagonist, it is more accuratelya SERM. Clomiphene is chemically a mixture of two geometricisomers, zuclomiphene, the cis-isomer, and enclomiphene,the trans-isomer. In animal studies, these isomershave different estrogenic actions in different tissues.Zuclomiphene appears to have weak agonist actions on alltissues studied, whereas enclomiphene has antagonist actionson uterine tissue, but agonist action on bone tissue. The actionsof clomiphene in humans are likely a composite of theactions of the two isomers.
Suppliers29 total
Wuhan Ruichi Technology Co., Ltd+undefined13545065237 · [email protected]
Hebei Jiafan Trading Company Limited+8619948294140 · [email protected]
Zhuzhou Yaozhijie Chemical Co., LTD+66-955486952 · [email protected]
Shenzhen Monkono Technology Co.,Ltd+86-17063441314 · [email protected]
河北秒变生物科技有限公司17733850068
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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