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GR-36246

CAT: 0931-T70966-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T70966-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132461-41-7
Target
Others
Related Pathways
Others
Bioactivity
GR-36246 is a Thromboxane A2-receptor blocker.
Smiles
OC(=O)CC\C=C/CC[C@H]1[C@H](CC[C@@H]1N1CCCCC1)OCc1ccc(cc1)-c1ccccc1
Molecular Formula
C29H37NO3
Molecular Weight
447.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GR 36246

thromboxane A2-receptor blocker; structure given in first source

CAS Number132461-41-7
PubChem CID6439335
IUPAC Name(Z)-6-[(1R,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]hex-4-enoic acid
Molecular FormulaC29H37NO3
Molecular Weight447.6
XLogP3.4
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity600
SMILES
C1CCN(CC1)[C@@H]2CC[C@H]([C@@H]2C/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H37NO3/c31-29(32)13-7-2-6-12-26-27(30-20-8-3-9-21-30)18-19-28(26)33-22-23-14-16-25(17-15-23)24-10-4-1-5-11-24/h1-2,4-6,10-11,14-17,26-28H,3,7-9,12-13,18-22H2,(H,31,32)/b6-2-/t26-,27-,28-/m1/s1
InChIKey
OIRAMMLFTXVNIT-ZOFIRBRHSA-N
Chemical Structure
2D Structure
2D structure of GR 36246
CAS: 132461-41-7
CID: 6439335
Formula: C29H37NO3
MW: 447.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight447.6
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass447.27734404
Monoisotopic Mass447.27734404
Topological Polar Surface Area49.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes