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Bimatoprost isopropyl ester

CAT: 0931-T30452-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T30452-01Size:1 mg
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CAS Number
130273-87-9
Target
Others
Related Pathways
Others
Bioactivity
Bimatoprost isopropyl ester is an F-series prostaglandin analog, which has been approved as a hypotensive drug.
Smiles
C(/C=C\CCCC(OC(C)C)=O)[C@@H]1[C@@H](/C=C/[C@@H](CCC2=CC=CC=C2)O)[C@H](O)C[C@@H]1O
Molecular Formula
C26H38O5
Molecular Weight
430.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bimatoprost isopropyl ester
CAS Number130273-87-9
PubChem CID10477809
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
Molecular FormulaC26H38O5
Molecular Weight430.6
XLogP3.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity564
SMILES
CC(C)OC(=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/C26H38O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,27-29H,4,9,12-15,18H2,1-2H3/b8-3-,17-16+/t21-,22-,23-,24+,25-/m1/s1
InChIKey
JGZRPRSJSQLFBO-DYZSFVSISA-N
Chemical Structure
2D Structure
2D structure of Bimatoprost isopropyl ester
CAS: 130273-87-9
CID: 10477809
Formula: C26H38O5
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass430.27192431
Monoisotopic Mass430.27192431
Topological Polar Surface Area87 Ų
Heavy Atom Count31
Formal Charge0
Complexity564
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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