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Bimatoprost amide

CAT: 0024-sc-205225ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205225ASize:5 mg
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CAS Number
155205-89-3

Chemical Information

(5Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-5-heptenamide

17-phenyl-trinor-PGF2alpha amide is a prostanoid.

CAS Number155205-89-3
PubChem CID5283106
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
Molecular FormulaC23H33NO4
Molecular Weight387.5
XLogP2
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity513
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)N)O
InChI
InChI=1S/C23H33NO4/c24-23(28)11-7-2-1-6-10-19-20(22(27)16-21(19)26)15-14-18(25)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,14-15,18-22,25-27H,2,7,10-13,16H2,(H2,24,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
InChIKey
RAGQWYIPCPFTJC-KDACTHKWSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-5-heptenamide
CAS: 155205-89-3
CID: 5283106
Formula: C23H33NO4
MW: 387.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass387.24095853
Monoisotopic Mass387.24095853
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity513
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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