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Prostaglandin A2-d4

CAT: 0804-HY-113041SSize: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-113041SSize:50 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Prostaglandin A2-d4 is the deuterium labeled Prostaglandin A2[1].
CAS Number
201608-18-6
Product Name Alternative
PGA2-d4; Medullin-d4
UNSPSC
12352211
Hazard Statement
H225-H319-H336
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=C1[C@@H]([C@H](C=C1)/C=C/[C@H](CCCCC)O)C/C=C\C([2H])(C([2H])(CC(O)=O)[2H])[2H]
Molecular Formula
C20H26D4O4
Molecular Weight
338.47
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P370+P378-P403+P233-P403+P235-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Prostaglandin A2-d4

Prostaglandin A2-d4 is an organic molecular entity.

CAS Number201608-18-6
PubChem CID126456240
IUPAC Name(Z)-3,3,4,4-tetradeuterio-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Molecular FormulaC20H30O4
Molecular Weight338.5
XLogP3.6
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity476
SMILES
[2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@@H]1[C@H](C=CC1=O)/C=C/[C@H](CCCCC)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/i5D2,8D2
InChIKey
MYHXHCUNDDAEOZ-IDCRMVQDSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin A2-d4
CAS: 201608-18-6
CID: 126456240
Formula: C20H30O4
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass338.23951642
Monoisotopic Mass338.23951642
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity476
Isotope Atom Count4
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-224213AProstaglandin A2-d4
TRC-P838550-1MGProstaglandin A2
TRC-P838612-1MGProstaglandin E2-d4
RM-P151406-01Prostaglandin E1-D4
sc-224216Prostaglandin D1-d4
AR-P33062-01Prostaglandin D2-d4
463133-01Prostaglandin E0-d4
sc-205468AProstaglandin F2α-d4
sc-224214Prostaglandin B2-d4
TRC-P838658-25MGProstaglandin F2alpha-d4

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