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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopen...
147008-20-6 structure

5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-,(5Z)-

Iupac Name:ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CAS No.:147008-20-6
EINECS(EC#): 258-966-6
Molecular Weight:449.522
Molecular Formula:C41H73N2O11P (isomer)
Names and Identifiers
Synonyms

(5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-enyl)cyclopentyl)hept-5-enoic acid 1272AH 17-phenyl trinor prostaglandin f2alpha 17-Phenyl-18,19,20-trinor-PGF2a 17-phenyl-18,19,20-trinorprostaglandin F2 alpha 17-Phenyl-18,19,20-trinorprostaglandin F2a 17-phenyl-trinor-pgf2alpha 17-phenyl-trinor-prostaglandin f2alpha 2683MK55HG 5-Heptenoic acid,7-[3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl]-, [1R-[1a(Z),2b(1E,3S*),3a,5a]]- 5-Heptenoicacid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]cyclopentyl]-,(5Z)- (9CI) 9ALPHA,11ALPHA-15S-TRIHYDROXY-17-PHENYL-18,19,20-TRINOR-PROSTA-5Z,13E-DIEN-1-OIC ACID 9s,11r,15s-trihydroxy-17-phenyl-18,19,20-trinor-5z,13e-prostadienoic acid bimatoprost acid BIMATOPROST(TM) (FREE ACID) D08QWQ LMFA03010081 PhXA 70 SCHEMBL2472056 U 35687 u-35687 YFHHIZGZVLHBQZ-KDACTHKWSA-N ZINC13589949

Inchi
InChI=1S/C27H28FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20-21,30-31H,2,7-8,15-16H2,1H3
InChkey
MAUQAXOHCVNUMX-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC(CC(C=CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O
Properties
Boiling Point
830.3°C at 760 mmHg
Vapour
1.9E-08mmHg at 25°C
Refractive Index
1.646
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:449.522g/mol
  • Molecular Formula:C41H73N2O11P
  • Compound Is Canonicalized:True
  • Exact Mass:449.2
  • Monoisotopic Mass:449.2
  • Complexity:661
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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