Ezetimibe-d4

CAT: 0926-TTB65989-05Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-TTB65989-05Size:10 mg

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CAS Number

1093659-89-2

Smiles

C1=CC (=CC=C1C2C (C (=O) N2C3=CC=C (C=C3) F) CCC (C4=CC=C (C=C4) F) O) O

Molecular Formula

C24H21F2NO3

Molecular Weight

413.4 g/mol

Controlled

Chemical Information

Ezetimibe D4

CAS Number	1093659-89-2
PubChem CID	25145485
IUPAC Name	(3R,4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-[(3S)-3-hydroxy-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)propyl]azetidin-2-one
Molecular Formula	C24H21F2NO3
Molecular Weight	413.4
XLogP	4
Topological Polar Surface Area	60.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	567

SMILES

[2H]C1=C(C(=C(C(=C1[C@H](CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)O)[2H])[2H])F)[2H]

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/i1D,2D,5D,6D

InChIKey

OLNTVTPDXPETLC-GMASCKFGSA-N

Chemical Structure

2D Structure

CAS: 1093659-89-2

CID: 25145485

Formula: C24H21F2NO3

MW: 413.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	413.17405684
Monoisotopic Mass	413.17405684
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	567
Isotope Atom Count	4
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TRC-E975002-1MG	Ezetimibe-d4
RM-E262040-01	Ezetimibe D4
HY-143807S	(Rac) -Ezetimibe-d4
HY-17376S1-01	Ezetimibe-d4-1
AR-E10960-01	Ezetimibe Diacetate-d4
CS-O-16398	Rac-Ezetimibe-d4
MBS6049486-01	Ezetimibe-d4 Diacetate
293359-01	Ezetimibe-D-glucuronide D4
sc-497736	Ezetimibe Tetrahydropyran-d4 Impurity
AR-E02285-01	Ezetimibe-d4 Phenolic Glucuronide

Ezetimibe-d4

Chemical Information

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