Products for Research Use Only
RegisterLogin

Carbaprostacyclin methyl ester

CAT: 0804-HY-126084Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-126084Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Carbaprostacyclin methyl ester is a methylated derivative of Carbacyclin.
CAS Number
69552-55-2
UNSPSC
12352211
Hazard Statement
H225-H319
Target
Prostaglandin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Smiles
O[C@H]1[C@@H]([C@H]2C/C(C[C@H]2C1)=C/CCCC(OC)=O)/C=C/[C@H](CCCCC)O
Molecular Formula
C22H36O4
Molecular Weight
364.52
Precautions
P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Carbaprostacyclin methyl ester

Carbaprostacyclin methyl ester is a prostanoid.

CAS Number69552-55-2
PubChem CID91886112
IUPAC Namemethyl (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
Molecular FormulaC22H36O4
Molecular Weight364.5
XLogP3.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)OC)/C2)O)O
InChI
InChI=1S/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h8,11-12,17-21,23-24H,3-7,9-10,13-15H2,1-2H3/b12-11+,16-8+/t17-,18-,19+,20-,21+/m0/s1
InChIKey
HXEFVSUBWWRXMV-MUHPVNSJSA-N
Chemical Structure
2D Structure
2D structure of Carbaprostacyclin methyl ester
CAS: 69552-55-2
CID: 91886112
Formula: C22H36O4
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass364.26135963
Monoisotopic Mass364.26135963
Topological Polar Surface Area66.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-173418Carbaprostacyclin-biotin
HY-124363-015-cis Carbaprostacyclin
HY-12556313,14-Dehydro-15-cyclohexyl carbaprostacyclin
HY-Z4185-01Rebamipide methyl ester
HY-135376-01Atorvastatin methyl ester
HY-137159-01Bestatin methyl ester
HY-165398Leucylleucine methyl ester
HY-131278-01Olmesartan methyl ester
HY-131142-01Monensin methyl ester
HY-114689-01Diclofenac methyl ester

Alternative Products

CatalogName
CDA40203-01Methyl acrylamidoglycolate methyl ester
RM-S132240-01Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
M3519-10Methyl ß-Neuraminic Acid, Methyl Ester (Neuraminic Acid, ß-Methylglycoside, Methyl Ester)
CS-O-06030Cetirizine Methyl Ester
CS-O-07098Diclofenac Methyl Ester
ZWB53711Amineptine methyl ester
CS-T-56610Imazamox Methyl Ester
NEA80571-01Olopatadine methyl ester
AM171961-01Monensin methyl ester
IT28366-01Trandolaprilat methyl ester

Popular Products