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Misoprostol acid-d5

CAT: 0804-HY-118189SSize: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-118189SSize:50 µg
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Description
Misoprostol acid-d5 is deuterium labeled Misoprostol acid. Misoprostol acid is an active metabolite of Misoprostol. Misoprostol is a synthetic analogue of prostaglandin E1 (PGE1), extensively absorbed, and undergoes rapid de-esterification to Misoprostol acid in the gastrointestinal tract after oral administration. Misoprostol can be used for non-steroidal anti-inflammatory drug-induced (NSAID) gastric ulcers[1]. Misoprostol is an oral agent used to induce labor[2].
CAS Number
1337917-44-8
UNSPSC
12352211
Target
Isotope-Labeled Compounds; Prostaglandin Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H]([C@H](C(C1)=O)CCCCCCC(O)=O)/C=C/CC(C([2H])([2H])[2H])(O)C([2H])([2H])CCC
Molecular Formula
C21H31D5O5
Molecular Weight
373.54
References & Citations
[1]Vijaya Bharathi D, et al. Development and validation of highly sensitive method for determination of misoprostol free acid in human plasma by liquid chromatography-electrospray ionization tandem mass spectrometry: application to a clinical pharmacokinetic study. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Sep 15;879 (26) :2827-33.|[2]Schmidt-Hansen M, et al. Simultaneous compared to interval administration of mifepristone and misoprostol for medical abortion up to 10+0 weeks' gestation: a systematic review with meta-analyses. BMJ Sex Reprod Health. 2020 Feb 20. pii: bmjsrh-2019-200448.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
EP

Chemical Information

Misoprostol Acid D5
CAS Number1337917-44-8
PubChem CID46782384
IUPAC Name7-[(1R,2R,3R)-2-[(E)-5,5-dideuterio-4-hydroxy-4-(trideuteriomethyl)oct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
Molecular FormulaC21H36O5
Molecular Weight373.5
XLogP3.3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity473
SMILES
[2H]C([2H])([2H])C(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)(C([2H])([2H])CCC)O
InChI
InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1/i2D3,13D2
InChIKey
CNWGPXZGIIOYDL-CTASGXJISA-N
Chemical Structure
2D Structure
2D structure of Misoprostol Acid D5
CAS: 1337917-44-8
CID: 46782384
Formula: C21H36O5
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass373.28765797
Monoisotopic Mass373.28765797
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity473
Isotope Atom Count5
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-M04887-01Misoprostol Acid-d5
sc-221944DMisoprostol (free acid) -d5
AR-M02067-01Misoprostol-d5
AR-M04886-01Misoprostol Acid-d5 (Mixture of Diastereomers)
AR-M04885-01Misoprostol-d5 (Mixture of Diastereomers)
MBS6044718-01(8R,11R,12R,16RS)-Misoprostol Acid-d5
017677(8R,11R,12R,16RS) -Misoprostol Acid-d5
sc-217513(8R,12R,11R,16RS) -Misoprostol Acid-d5
T12047-01Misoprostol acid
MBS565585-01Misoprostol, free acid

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