U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N3O3S
Molecular Weight 359.443
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-N-Methyl Esomeprazole

SMILES

COC1=CC=C2N=C(N(C)C2=C1)[S@@+]([O-])CC3=C(C)C(OC)=C(C)C=N3

InChI

InChIKey=WNUVTRNLJLQRDR-VWLOTQADSA-N
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

HIDE SMILES / InChI

Molecular Formula C18H21N3O3S
Molecular Weight 359.443
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HK2YV8W65B
Record Status Validated (UNII)
Record Version