N3-Methyl Esomeprazole

CAT: 0572-TRC-M245730-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M245730-1MGSize:1 mg

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CAS Number

1346240-11-6

Hazard Statement

No Data Available

Smiles

O=[S@](C1=NC2=C(C=C(C=C2)OC)N1C)CC3=C(C(OC)=C(C=N3)C)C

Molecular Formula

C18H21N3O3S

Molecular Weight

359.44

Chemical Information

N3-Methyl Esomeprazole

CAS Number	1346240-11-6
PubChem CID	92861245
IUPAC Name	6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
Molecular Formula	C18H21N3O3S
Molecular Weight	359.4
XLogP	2.2
Topological Polar Surface Area	85.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	480

SMILES

CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2C)C=C(C=C3)OC

InChI

InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-7-6-13(23-4)8-16(14)21(18)3/h6-9H,10H2,1-5H3/t25-/m0/s1

InChIKey

WNUVTRNLJLQRDR-VWLOTQADSA-N

Chemical Structure

2D Structure

CAS: 1346240-11-6

CID: 92861245

Formula: C18H21N3O3S

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	359.13036271
Monoisotopic Mass	359.13036271
Topological Polar Surface Area	85.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-P755285-25MG	Prochlorazium N3-Methyl Iodide
TRC-P755285-100MG	Prochlorazium N3-Methyl Iodide
TRC-P755285-50MG	Prochlorazium N3-Methyl Iodide
TRC-E668300-100MG	Esomeprazole Magnesium
TRC-D293970-100MG	Des-ethylsulfinyl-methoxybenzoimidazole 6-Methyl Esomeprazole Methanol
TRC-E668300-50MG	Esomeprazole Magnesium
TRC-E668300-25MG	Esomeprazole Magnesium
TRC-M304640-100MG	N-Methyl Esomeprazole(Mixture of isomers with the methylated nitrogens of imidazole)
TRC-M304640-500MG	N-Methyl Esomeprazole(Mixture of isomers with the methylated nitrogens of imidazole)
TRC-M304640-250MG	N-Methyl Esomeprazole(Mixture of isomers with the methylated nitrogens of imidazole)

Catalog	Name
AR-E08848-01	N-Methyl Esomeprazole isomer-1
AR-E08849-01	N-Methyl Esomeprazole isomer-2
AR-E08926-01	Esomeprazole 5/6 Methoxy N-Methyl Impurity Mixture
459360-01	N-Methyl Esomeprazole (Mixture of isomers with the methylated nitrogens of imidazole)
459361-01	N-Methyl Esomeprazole-d3 (Mixture of isomers with the methylated nitrogens of imidazole)
OR1032293-01	2-[[ (3,5-Dimethyl-4-nitro-2-pyridinyl) methyl]sulfinyl]-5-methoxy-1H-benzimidazole (Esomeprazole Impurity)
HY-141731S-01	2- (((3,5-Dimethylpyridin-2-yl) methyl) thio) -6-methoxy-1Hbenzo[d]imidazole (esomeprazole impurity) -d3
HY-Z2146R	2- (((4-chloro-3,5-dimethylpyridin-2-yl) methyl) sulfinyl) -6-methoxy-1Hbenzo[d]imidazole (Esomeprazole Impurity) (Standard)
MBS6064100-01	Esomeprazole Magnesium ((T-4)-Bis[5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazolato]magnesium, Nexium)
HY-Z3707-01	N3-Methyl pantoprazole