Basic information
- CAS
1593543-00-0- Standard SMILES
O=C1[C@@H](CC[C@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1- InChIKey
OLNTVTPDXPETLC-VABKMULXSA-N- Molecular formula
- C24H21F2NO3
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.14894986
Names & identifiers
- Preferred name
- (3S,4R)-1-(4-Fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-2-azetidinone
- IUPAC
- (3S,4R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
- English name
- (3S,4R)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
- Molecular formula
- C24H21F2NO3
- Molecular weight
- 409.43
Names & synonyms
1593543-00-0(3S,4R)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one7XS0TM202F(3S,4R)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinoneDTXSID501111386Azetidinone, 1-(4-fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3S,4R)-(3S,4R)-1-(4-Fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one(3S,4R)-1-(4-Fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-2-azetidinoneRefChem:1050320DTXCID301542999(3'S)-ent-EzetimibeEzetimibe (3S,4R,3'S)-Isomer
Show more names
Ezetimibe-19S, S, R-Edacrilib(3’S)-ent-EzetimibeEzetimibe impuritySSR(3S,4R,3'S)-EzetimibeEzetimibe (SSR)-IsomerEzetimibe S,R,S IsomerEzetimibe impurities 17
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Boiling point
- 654.9 · 654.9±55.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- solubility
- Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.72 · 9.72±0.30(Predicted)
- color
- White
- FDA UNII
- 7 XS0TM202F · 7XS0TM202F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn enantiomeric impurity of Ezetimibe (E975005), an antihyperlipoproteinemic and cholesterol absorption inhibitor.
Suppliers71 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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