Basic information
- CAS
40666-16-8- Standard SMILES
O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H](O)C[C@H]1O- InChIKey
WWSWYXNVCBLWNZ-CHPNCWRZSA-N- Molecular formula
- C23H29F3O6
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.19162313
Names & identifiers
- Preferred name
- Travoprost Impurity 36
- IUPAC
- (Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
- English name
- Fluprostenol
- Molecular formula
- C23H29F3O6
- Molecular weight
- 458.47
Names & synonyms
Fluprostenol, 10 mg/mL in ethanol, 98%Travoprost Impurity 36(+/-)16-(m-Trifluoromethylphenoxy)-tetranor-prostaglandin F2alphaorb2564690WWSWYXNVCBLWNZ-CHPNCWRZSA-NHY-136494CS-0129807T88003(Z)-7-((1S,2S,3S,5R)-3,5-dihydroxy-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoic acidFLUPROSTENOLFluoro ProstaglandinWWSWYXNVCBLWNZ-QIZQQNKQSA-N
Show more names
FLUPROSTENOL, ETHANOL SOLUTIONTravoprost Impurity 31((±)-Fluprostenol)(±)-16-(3-trifluoromethylphenoxy)tetranorprostaglandin f2α(+/-)-16-(3-TRIFLUOROMETHYLPHENOXY)TETRANORPROSTAGLANDIN F2ALPHA(+/-)-9ALPHA,11ALPHA,15R-TRIHYDROXY-16-(3-(TRIFLUOROMETHYL)PHENOXY)-17,18,19, 20-TETRANORPROSTA 5Z,13E-DIEN-1-OIC ACID(5Z)-rel-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic acid
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- Boiling point
- 608 · 608.0±55.0 °C(Predicted)
- Density
- 1.335 · 1.335
- storage temp.
- 20 °C · −20°C
- form
- Colorless oil dissolved in ethanol (1mg/100μl).
- pka
- 4.76 · 4.76±0.10(Predicted)
- InChIKey
- WWSWYXNVCBLWNZ-QAAGTRDINA-N
- SMILES
- C(O)(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COC1=CC=CC(C(F)(F)F)=C1 |&1:9,10,13,15,18,r|
- FDA UNII
- 358 S7VUE5N · 358S7VUE5N
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F
- safety_code
- 7-16
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H319
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Applications
UsesFluprostenol is a prostaglandin F (FP) receptor agonist.
Suppliers26 total
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
台州市科德化工有限公司0576-84613060 13093829633;13736603231 · [email protected]
上海源惠生物科技有限公司13761582449; 13761582449 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海京河医药科技有限公司21-13482015261-883 13482015261 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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