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(15R) -Bimatoprost

CAT: 0013-GTR19232830-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232830-01Size:500 µg
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Description
(15R) -Bimatoprost is a stereoisomer of the prostaglandin analog bimatoprost, distinguished by a beta-oriented hydroxyl group at the C-15 position. It is used in glaucoma and ocular hypertension research, serving as a tool for investigating the structure-activity relationships of FP receptor agonists in both in vitro and in vivo experimental models.
CAS Number
1163135-92-9
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (=C/[C@@H] (CCC1=CC=CC=C1) O) \[C@@H]2[C@@H] (C/C=C\CCCC (NCC) =O) [C@@H] (O) C[C@H]2O
Molecular Formula
C25H37NO4
Molecular Weight
415.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide, (5Z)-
CAS Number1163135-92-9
PubChem CID52193994
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
Molecular FormulaC25H37NO4
Molecular Weight415.6
XLogP2.8
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity541
SMILES
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21-,22-,23+,24-/m1/s1
InChIKey
AQOKCDNYWBIDND-ZPFRTTICSA-N
Chemical Structure
2D Structure
2D structure of 7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-N-ethyl-5-heptenamide, (5Z)-
CAS: 1163135-92-9
CID: 52193994
Formula: C25H37NO4
MW: 415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.6
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass415.27225866
Monoisotopic Mass415.27225866
Topological Polar Surface Area89.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity541
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

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