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| CAS No.: | 13345-50-1 |
|---|---|
| Name: | PROSTAGLANDIN A2 |
| Molecular Structure: | |
|
|
|
| Formula: | C20H30 O4 |
| Molecular Weight: | 334.456 |
| Synonyms: | 5-Heptenoicacid, 7-[2-(3-hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl]- (8CI);(+)-Prostaglandin A2; (15S)-PGA2;15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoic acid;15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostenoic acid; 15(S)-Prostaglandin A2;15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylicacid; 15a-Hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoicacid; 5,6-cis-PGA2; Medullin; NSC 165561; PGA2; Prostaglandin A2 |
| Density: | 1.103g/cm3 |
| Boiling Point: | 515.3°Cat760mmHg |
| Flash Point: | 279.6°C |
| Hazard Symbols: |
 
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| Risk Codes: | 11-36-66-67 |
| Safety: | Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 74.60000 |
| LogP: | 4.05630 |
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Chemistry
Product Name: Prostaglandin A2 (CAS NO.13345-50-1)
Molecular Formula: C20H30O4
Molecular Weight: 334.45g/mol
Mol File: 13345-50-1.mol
Einecs: 234-237-8
Boiling point: 515.3 °C at 760 mmHg
Storage Temperature: −20°C
Flash Point: 279.6 °C
Density: 1.103 g/cm3
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 90.6 kJ/mol
Vapour Pressure: 8.93E-13 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Prostaglandin A2 (CAS NO.13345-50-1):
IUPAC Name: (Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Canonical SMILES: CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKey: MYHXHCUNDDAEOZ-FOSBLDSVSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 93mg/kg (93mg/kg) | Toxicology and Applied Pharmacology. Vol. 25, Pg. 460, 1973. |
Safety Profile
Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Prostaglandin A2 (CAS NO.13345-50-1):
Hazard Codes: F
,Xi
Risk Statements: 11-36-66-67
11: Highly Flammable
36: Irritating to the eyes
66: Repeated exposure may cause skin dryness or cracking
67: Vapors may cause drowsiness and dizziness
Safety Statements: 26
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
Specification
Prostaglandin A2 ,its CAS NO. is 13345-50-1,the synonyms is (+)-Prostaglandin A(sup 2) ; (155)-PGA2 ; (15S)-Prostaglandin A2 ; 5,6-cis-PGA(sup 2) ; 5-Heptenoic acid, 7-(2-(3-hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl)- ; BRN 2221844 ; Medullin ; NSC 165561 ; PGA2 ; 5-Heptenoic acid, 7-(2-(3-hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl)- (VAN) (8CI) ; Prosta-5,10-13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5Z,13E,15S)- (9CI) .