Basic information
- CAS
57968-81-7- Standard SMILES
O=C(O)CCCC=CCC1C(O)CC(O)C1C=CC(O)COc1cccc(Cl)c1- InChIKey
VJGGHXVGBSZVMZ-UHFFFAOYSA-N- Molecular formula
- C22H29ClO6
- Average molar mass
- 424.9 g/mol
- Monoisotopic mass
- 424.1652663
Overview
See other relationships...
Names & identifiers
- Preferred name
- 7-(2-(4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid
- IUPAC
- 7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
- English name
- (+)-5-trans Cloprostenol
- Molecular formula
- C22H29ClO6
- Molecular weight
- 424.91506
Names & synonyms
DTXSID602743867-{2-[4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoic acid7-(2-(4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic acidRefChem:1074310DTXCID30225865D-Cloprostenol7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid(+)-5-trans Cloprostenol57968-81-7(-)-Cloprostenol40665-93-8(+)-15-epi Cloprostenol
Show more names
5,6-trans-cloprosten5-trans-Cloprostenol( )-5-trans CloprostenolCloprostenol Impurity 2(5-trans-Cloprostenol)Cloprostenol Impurity 6 (5-trans-Cloprostenol)DL-cloprostenol Impurity 5,6-trans-(+/-)-cloprostenol(+)-5-trans-Cloprostenol, prostaglandin F2alpha derivative5-Heptenoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, [1R-[1α(E),2β(1E,3R*),3α,5α]]- (9CI)[1R-[1alpha(E),2beta(1E,3R*),3alpha,5alpha]]-7-[2-[4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-5-Heptenoic acid
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Boiling point
- 628 · 628.0±55.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/ml; · DMF: >100 mg/ml; DMSO: >100 mg/ml; Ethanol: >100 mg/ml; PBS (pH 7.2): >16 mg/ml
- pka
- 4.76 · 4.76±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses(+)-(5)-trans Cloprostenol is an isomer of cloprostenol(C587300). Cloprostenol is an aryl-oxymethyl analog of prostaglandin F2α.
Suppliers40 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Aladdin Scientific[email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Related reactions
0 records
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Compound notes
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