Eprosartan-d3

CAT: 0572-TRC-E590102-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-E590102-1MGSize:1 mg

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CAS Number

1185243-70-2

Synonyms

(αE)-α-[[2-(Butyl-d3)-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic Acid; (E)-2-(Butyl-d3)-1-(p-carboxybenzyl)-α-2-thenylimidazole- 5-acrylic Acid; Navixen-d3; SKB 108566-d3; SKF 108566-d3; Teveten-d3;

Hazard Statement

Suspected of damaging fertility or the unborn child

Purity

>95% (HPLC)

Smiles

O=C(O)C1=CC=C(CN2C(/C=C(CC3=CC=CS3)/C(O)=O)=CN=C2CCCC([2H])([2H])[2H])C=C1

Molecular Formula

C23H21D3N2O4S

Molecular Weight

427.53

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Eprosartan-d3

CAS Number	1185243-70-2
PubChem CID	46781481
IUPAC Name	4-[[5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]-2-(4,4,4-trideuteriobutyl)imidazol-1-yl]methyl]benzoic acid
Molecular Formula	C23H24N2O4S
Molecular Weight	427.5
XLogP	4.5
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	618

SMILES

[2H]C([2H])([2H])CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+/i1D3

InChIKey

OROAFUQRIXKEMV-FDKNJLTISA-N

Chemical Structure

2D Structure

CAS: 1185243-70-2

CID: 46781481

Formula: C23H24N2O4S

MW: 427.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	427.5
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	427.16450866
Monoisotopic Mass	427.16450866
Topological Polar Surface Area	121 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	618
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-C988996-5MG	Cymoxanil-d3 (methoxy-d3)

Alternative Products

Catalog	Name
HY-117743S-01	Eprosartan-d3
274986-01	Eprosartan
B1746-5.1	Eprosartan Mesylate

Eprosartan-d3

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