Home Other Building Blocks (+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1

(+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1

CAS No.:
112137-89-0
Catalog Number:
AG008RK2
Molecular Formula:
C21H36O5
Molecular Weight:
368.5075
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥97%
1 week
United States
$111
- +
5mg
≥97%
1 week
United States
$301
- +
10mg
≥97%
1 week
United States
$490
- +
50mg
≥97%
1 week
United States
$1818
- +
Product Description
Catalog Number:
AG008RK2
Chemical Name:
(+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1
CAS Number:
112137-89-0
Molecular Formula:
C21H36O5
Molecular Weight:
368.5075
MDL Number:
MFCD00869984
IUPAC Name:
7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
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
InChI Key:
CNWGPXZGIIOYDL-MKYGPDKMSA-N
SMILES:
CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)O)(O)C
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
368.256g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
368.514g/mol
Monoisotopic Mass:
368.256g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Validated method for the determination of misoprostol acid in whole blood by ultra performance liquid chromatography-tandem mass spectrometry. Journal of pharmaceutical and biomedical analysis 20121201
Effect of bacterial vaginosis on the pharmacokinetics of misoprostol in early pregnancy. Human reproduction (Oxford, England) 20120201
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. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110915
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Pharmacokinetics of repeated doses of misoprostol. Human reproduction (Oxford, England) 20090801
Pharmacokinetic profiles up to 12 h after administration of vaginal, sublingual and slow-release oral misoprostol. Human reproduction (Oxford, England) 20070701
Determination of misoprostol acid in human plasma by liquid chromatography coupled to tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070601
The pharmacokinetics of the prostaglandin E1 analogue misoprostol in plasma and colostrum after postpartum oral administration. European journal of obstetrics, gynecology, and reproductive biology 20030501
The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogs. Biochimica et biophysica acta 20000117
Properties