Basic information
- CAS
63983-53-9- Standard SMILES
CCCCCC(=O)CC[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
KBHLXKOKUVJZIS-MKXGPGLRSA-N- Molecular formula
- C20H34O6
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.2355388
Names & identifiers
- Preferred name
- 6,15-diketo-13,14-dihydroprostaglandin F1alpha
- IUPAC
- 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
- English name
- 6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1ALPHA
- Molecular formula
- C20H34O6
- Molecular weight
- 370.48
Names & synonyms
63983-53-96,15-Diketo-13,14-dihydro-PGF1alpha6,15-Ddpf3WOJ38O7ZB6,15-Diketo-13,14-dihydroprostaglandin F1alpha6,15-Dioxo-13,14-dihydro-pgf1alphaProstan-1-oic acid, 9,11-dihydroxy-6,15-dioxo-, (9alpha,11alpha)-RefChem:53842413,14-dihydro-6,15-diketo-PGF1 alpha6,15-diketo-13,14-dihydro-PGF1 alpha6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1alphaUNII-3WOJ38O7ZB
Show more names
6,15-Diketo-13,14-dihydro-PGF1±6,15-Diketo-13,14-dihydro-PGF1α"6,15-Diketo-13,14-dihydro-PGF1a"6,15-diketo-13,14-dihydro Prostaglandin F1α6,15-diketo-13,14-dihydro-*prostaglandin F1A6,15-DIOXO-9ALPHA,11ALPHA-DIHYDROXY-PROSTAN-1-OIC ACIDProstan-1-oic acid, 9,11-dihydroxy-6,15-dioxo-, (9α,11α)-6,15-diketo-13,14-dihydro Prostaglandin F1α Lipid Maps MS Standard7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl)-6-oxoheptanoic acid
13,14-Dihydro-6,15-diketo-PGF1alpha7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid6,15-diketo-13,14-dihydro PGF1alpha6,15-diketo-13,14-dihydro Prostaglandin F1|Aorb16934986,15-DIKETO-13,14-DIHYDROPROSTAGLANDINF1ALPHASCHEMBL20613687DTXSID60981700
Database identifiers
- CAS
63983-53-9- PubChem CID
- 174013
- DTXSID
DTXSID60981700- UNII
- 3WOJ38O7ZB
- EC Number
- 633-201-2
- Nikkaji
- J1.295.637A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 587.8 · 587.8±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 100 mg/ml; · DMF: >100 mg/ml; DMSO: >50 mg/ml; Ethanol: >16 mg/ml; PBS pH 7.2: >3.3 mg/ml
- pka
- 4.69 · 4.69±0.10(Predicted)
- FDA UNII
- 3 WOJ38O7ZB · 3WOJ38O7ZB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 7 · 7-9
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 7-9
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
Uses6,15-Diketo-13,14-dihydro-PGF1α is a metabolite of Prostaglandin (P838600), a primary Prostaglandin; easily crystallized from purified biological extracts. Vasodilator (peripheral).
Suppliers9 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
1 records
Compound notes
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