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Basic Information
CAS No.: 41598-07-6
Name: PROSTAGLANDIN D2
Molecular Structure:
Molecular Structure of 41598-07-6 (PROSTAGLANDIN D2)
Formula: C20H32 O5
Molecular Weight: 352.471
Synonyms: 11-DehydroprostaglandinF2a; PGD2; Prostaglandin D2
Density: 1.148g/cm3
Boiling Point: 549.6°Cat760mmHg
Flash Point: 300.3°C
Hazard Symbols:
Risk Codes: 60-22
Safety: Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 94.83000
LogP: 3.25110
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Chemistry

 EINECS of Prostaglandin D2 (CAS NO.41598-07-6): 234-237-8
Empirical Formula: C20H32O5
Molecular Weight: 352.4651 g/mol
Index of Refraction: 1.56
Density: 1.148 g/cm3
Flash Point: 300.3 °C
Enthalpy of Vaporization: 95.35 kJ/mol
Boiling Point: 549.6 °C at 760 mmHg
Vapour Pressure: 2.27E-14 mmHg at 25 °C 
Structure of Prostaglandin D2 (CAS NO.41598-07-6):
                
IUPAC Name: (Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
Canonical SMILES: CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O
Isomeric SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChIKey: BHMBVRSPMRCCGG-OUTUXVNYSA-N

Toxicity Data With Reference

1.    

dni-mus:oth 5 mg/L/24H

     CNREA8    Cancer Research. 46 (1986),1688.
2.    

oms-mus:oth 5 mg/L/24H

     CNREA8    Cancer Research. 46 (1986),1688.

Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes of Prostaglandin D2 (CAS NO.41598-07-6): ToxicT
Risk Statements: 60-22 
R22:Harmful if swallowed. 
R60:May impair fertility.
Safety Statements: 53-22-26-36 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S53:Avoid exposure - obtain special instructions before use.

Specification

 Prostaglandin D2 , its cas register number is 41598-07-6. It also can be called 11-Dehydroprostaglandin F2-alpha ; and PGD2 .