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(15R) -Bimatoprost

CAT: 1596-AR-B00971-01Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-B00971-01Size:150
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CAS Number
1163135-92-9
Synonyms
(5Z) -7-[ (1R,2R,3R,5S) -3,5-Dihydroxy-2-[ (1E,3R) -3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide
Molecular Formula
C25H37NO4
Molecular Weight
415.57
API Name
Bimatoprost

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
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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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