6,15-diketo-13,14-dihydroprostaglandin F1alpha

HCID 174013CAS 63983-53-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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
Summenformel
C20H34O6
Durchschnittliche Molmasse
370,5 g/mol
Monoisotopische Masse
370,2355388

Namen und Bezeichner

Bevorzugter Name
6,15-diketo-13,14-dihydroprostaglandin F1alpha
IUPAC
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
Englischer Name
6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1ALPHA
Summenformel
C20H34O6
Molmasse
370.48

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
63983-53-9
PubChem CID
174013
DTXSID
DTXSID60981700
UNII
3WOJ38O7ZB
EC Number
633-201-2
Nikkaji
J1.295.637A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
112 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
14
Schwere Atome
26

Physikochemische Eigenschaften

Siedepunkt
587.8 · 587.8±45.0 °C(Predicted)
Dichte
1.128 · 1.128±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
Löslichkeit
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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
risk_code
20/21/22
hazard_code
Xn
safety_code
7-9

Chemie und Industrie

Anwendungen

Verwenden6,15-Diketo-13,14-dihydro-PGF1α is a metabolite of Prostaglandin (P838600), a primary Prostaglandin; easily crystallized from purified biological extracts. Vasodilator (peripheral).

Anbieter9 Anbieter

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]

Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…