Ezetimibe

CAS Number: 163222-33-1

Molecular Formula: C24H21F2NO3

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About Ezetimibe

(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one (CAS 163222-33-1) stands as a cornerstone in the API intermediates market, primarily utilized for the production of advanced lipid-lowering therapies that target the NPC1L1 transporter. As a leading bulk chemical su...

Ezetimibe Specifications

CAS Number

163222-33-1

Molecular Formula

C24H21F2NO3

Molecular Weight

409.43 g/mol

IUPAC Name

(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

Canonical SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@H](C4=CC=C(C=C4)F)O)O

InChI Key

OLNTVTPDXPETLC-XPWALMASSA-N

InChI

InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1

EINECS Number

682-606-0

MDL Number

MFCD00937872

HSN No

29337900

CAS Number

163222-33-1

Molecular Formula

C24H21F2NO3

Molecular Weight

409.43 g/mol

IUPAC Name

(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

Canonical SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@H](C4=CC=C(C=C4)F)O)O

InChI Key

OLNTVTPDXPETLC-XPWALMASSA-N

InChI

InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1

EINECS Number

682-606-0

MDL Number

MFCD00937872

HSN No

29337900

Molecular Weight

409.43 g/mol

Boiling Point

390 °C

Density

1.3±0.1 g/cm3

PSA

60.8 Å²

Average mass

409.4 g/mol

Monoisotopic mass

409.14894986 Da

Molar mass

409.4 g/mol

Vapour pressure

0 Pa at 25 °C

Precautionary Statement Codes

P201, P202, P260, P264, P270, P271, P273, P280, P301+P312, P330, P302+P352, P304+P340, P305+P351+P338, P308+P313, P321, P314, P362+P364, P332+P313, P337+P313, P391, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Irrit. 2 (100%)

Cholesterol Absorption Inhibitor

A selective cholesterol-lowering medication used as monotherapy or in combination with statins to inhibit the Niemann-Pick C1-Like 1 (NPC1L1) protein at the brush border of the small intestine, thereby reducing the absorption of dietary and biliary cholesterol for the management of primary hyperlipidemia, homozygous familial hypercholesterolemia, and homozygous sitosterolemia.