(E)-N-ethyl-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enamide
Basic information
- CAS
1163135-95-2- Standard SMILES
CCNC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O- InChIKey
AQOKCDNYWBIDND-ABRBVVEGSA-N- Molecular formula
- C25H37NO4
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.27225866
Overview
5-trans-17-phenyl trinor Prostaglandin F2alpha ethyl amide is a prostanoid.
Names & identifiers
- Preferred name
- (E)-N-ethyl-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enamide
- IUPAC
- (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
- English name
- (5E)-BiMatoprost
- Molecular formula
- C25H37NO4
- Molecular weight
- 415.57
Names & synonyms
1163135-95-2RefChem:406403(E)-N-ethyl-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enamide810-193-0(5E)-Bimatoprost5,6-trans-BimatoprostBimatoprost(Lumigan)5-Trans BimatoprostBimatoprost Impurity V5-trans-Bimatoprost(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide
Show more names
5,6- trans-bemeprost5-trans Bimatoprost-d5Bimatoprost (5E)-Isomer5.6 TRANS- BIMATOPROST IMPURITYBimatoprost Impurity 2(5-trans Bimatoprost)Latanoprost and Bimatoprost 5,6-trans-bimatoprost
(E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)-N-ethylhept-5-enamide(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamideBimatoprost, (5E)-BIDD:GT0386655MD9T3SCSCHEMBL10071021HY-B0191AAQOKCDNYWBIDND-ABRBVVEGSA-N
Database identifiers
- CAS
1163135-95-2- PubChem CID
- 6505201
- ChEBI
CHEBI:140470- UNII
- 655MD9T3SC
- EC Number
- 810-193-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 629.8 · 629.8±55.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.25 · 14.25±0.20(Predicted)
- form
- Solid
- color
- Colourless to Orange
- Stability
- Light Sensitive, Temperature Sensitive
- InChIKey
- AQOKCDNYWBIDND-ABRBVVEGSA-N
- SMILES
- C(NCC)(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCC1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H360
- Precautionary statements
- 201 · P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H360
- Precautionary statements
- P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501
Chemistry & industry
Applications
Uses(5E)-BiMatoprost can be used in the improved process for the production and purification of Bimatoprost (B386800).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 5-trans-17-phenyl trinor Prostaglandin F2alpha ethyl amide is a prostanoid.
Suppliers
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Related reactions
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Compound notes
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