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Bimatoprost Impurity E

CAT: 1299-RM-B131605-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B131605-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155206-01-2
Synonyms
(Z) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) cyclopentyl) -N-methylhept-5-enamide
Molecular Formula
C24H35NO4
Molecular Weight
401.54
Target Alternative Name
Bimatoprost
Product Name Synonym
(Z) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) cyclopentyl) -N-methylhept-5-enamide

Chemical Information

(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylhept-5-enamide
CAS Number155206-01-2
PubChem CID15231895
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylhept-5-enamide
Molecular FormulaC24H35NO4
Molecular Weight401.5
XLogP2.5
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CNC(=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/C24H35NO4/c1-25-24(29)12-8-3-2-7-11-20-21(23(28)17-22(20)27)16-15-19(26)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-23,26-28H,3,8,11-14,17H2,1H3,(H,25,29)/b7-2-,16-15+/t19-,20+,21+,22-,23+/m0/s1
InChIKey
UWIWNJFBNIMMGY-FDBOBMRISA-N
Chemical Structure
2D Structure
2D structure of (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylhept-5-enamide
CAS: 155206-01-2
CID: 15231895
Formula: C24H35NO4
MW: 401.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass401.25660860
Monoisotopic Mass401.25660860
Topological Polar Surface Area89.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
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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