ChemicalBook--->CAS DataBase List--->21562-57-2

21562-57-2

21562-57-2 Structure

21562-57-2 Structure
IdentificationBack Directory
[Name]

1,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-9-ONE
[CAS]

21562-57-2
[Synonyms]

TR4161
PGE1 alcohol
PROSTAGLANDIN E1 ALCOHOL
1-HYDROXY PROSTAGLANDIN E1
1-Decarboxy-1-hydroxymethyl-PGE1
1,11α,15S-trihydroxy-prost-13E-en-9-one
1,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-9-ONE
(13E,15S)-9-Oxoprosta-13-ene-1,11α,15-triol
(11α,13E,15S)-1,11,15-Trihydroxyprost-13-en-9-one
Prost-13-en-9-one, 1,11,15-trihydroxy-, (11α,13E,15S)-
(3R)-3β-Hydroxy-4α-[(1E,3S)-3-hydroxy-1-octenyl]-5β-(7-hydroxyheptyl)cyclopentanone
(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
[Molecular Formula]

C20H36O4
[MDL Number]

MFCD00135206
[MOL File]

21562-57-2.mol
[Molecular Weight]

340.5
Chemical PropertiesBack Directory
[Boiling point ]

489.2±45.0 °C(Predicted)
[density ]

1.077±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25 mg/ml; DMSO: 20 mg/ml; Ethanol: 25 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 1 mg/ml
[form ]

A crystalline solid
[pka]

13.85±0.60(Predicted)
[InChI]

1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
[InChIKey]

CMHCOGHTKXUQKW-KOAZGICHSA-N
[SMILES]

O[C@@H](C1/C=C/[C@H](CCCCC)O)CC([C@@H]1CCCCCCCO)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H300+H310+H330-H315-H319-H335
[Precautionary statements ]

P260-P262-P264-P270-P271-P280-P284-P301+P310-P330-P302+P352-P304+P340-P305+P351+P338-P312-P320-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

Prostaglandin E1 alcohol (compound 89) is a prostaglandin analog[1].
[Definition]

ChEBI: PGE1 alcohol is an aliphatic alcohol.
[storage]

Store at -20°C
[References]

[1] Cheolhwan Yoon, et al. Prostaglandin analogs and uses thereof. US20210139435A1.
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