4-Desmethoxy Omeprazole-d3

CAT: 0572-TRC-D290562-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D290562-10MGSize:10 mg

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CAS Number

1794759-05-9

Synonyms

2-[[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl]-6-(methoxy-d3)-1H-benzimidazole;H 180/29-d3;

Hazard Statement

No Data Available

Smiles

[2H]C([2H])([2H])Oc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)cc3C

Molecular Formula

C16H14D3N3O2S

Molecular Weight

318.41

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-Desmethoxy Omeprazole-d3

CAS Number	1794759-05-9
PubChem CID	71315702
IUPAC Name	2-[(3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
Molecular Formula	C16H17N3O2S
Molecular Weight	318.4
XLogP	2.3
Topological Polar Surface Area	87.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	409

SMILES

[2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=C(C=C(C=N3)C)C

InChI

InChI=1S/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)/i3D3

InChIKey

ZMXZYNHJPJEPAE-HPRDVNIFSA-N

Chemical Structure

2D Structure

CAS: 1794759-05-9

CID: 71315702

Formula: C16H17N3O2S

MW: 318.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	318.4
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	318.12297820
Monoisotopic Mass	318.12297820
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	409
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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TRC-D290560-50MG	4-Desmethoxy Omeprazole
TRC-D446933-100MG	4'-Desmethoxy Omeprazole
TRC-D290560-5MG	4-Desmethoxy Omeprazole
TRC-D290560-10MG	4-Desmethoxy Omeprazole
TRC-D290390-10MG	4-Desmethoxy-4-chloro Omeprazole
TRC-D290390-1MG	4-Desmethoxy-4-chloro Omeprazole
D290500	4-Desmethoxy-4-nitro Omeprazole
TRC-D290390-5MG	4-Desmethoxy-4-chloro Omeprazole
D290510	4-Desmethoxy-4-nitro Omeprazole Sulfide
D290515	4-Desmethoxy-4-nitro Omeprazole Sulfone

Alternative Products

Catalog	Name
HY-135111S-01	4-Desmethoxy Omeprazole-d3
008507	4-Desmethoxy Omeprazole-d3 Sulfide
MBS3612990-01	4-Desmethoxy Omeprazole
AR-O01331-01	4'-Desmethoxy Omeprazole
ID63496-01	4-Desmethoxy omeprazole sulfide
HY-135111R	4-Desmethoxy Omeprazole (Standard)
008501	4-Desmethoxy-4-nitro Omeprazole
sc-212870A	4-Desmethoxy-4-chloro Omeprazole

4-Desmethoxy Omeprazole-d3

Chemical Information

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