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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C17H18N3O3S.Mg
Molecular Weight 713.121
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESOMEPRAZOLE MAGNESIUM ANHYDROUS

SMILES

[Mg++].COC1=CC2=C([N-]C(=N2)[S@@+]([O-])CC3=C(C)C(OC)=C(C)C=N3)C=C1.COC4=CC5=C([N-]C(=N5)[S@@+]([O-])CC6=C(C)C(OC)=C(C)C=N6)C=C4

InChI

InChIKey=KWORUUGOSLYAGD-YPPDDXJESA-N
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2/t2*24-;/m00./s1

HIDE SMILES / InChI

Molecular Formula C17H19N3O3S
Molecular Weight 345.416
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:01:32 UTC 2023
Edited
by admin
on Sat Dec 16 05:01:32 UTC 2023
Record UNII
925R0D7W1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESOMEPRAZOLE MAGNESIUM ANHYDROUS
Common Name English
MAGNESIUM, BIS(6-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL-.KAPPA.O)-1H-BENZIMIDAZOLATO-.KAPPA.N3)-, (T-4)-
Common Name English
1H-BENZIMIDAZOLE, 5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-, MAGNESIUM SALT
Common Name English
OMEPRAZOLE S-FORM MANGESIUM SALT [MI]
Common Name English
5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYL)SULFINYL)BENZIMIDAZOLE, MAGNESIUM SALT (2:1)
Common Name English
OMEPRAZOLE S-FORM MANGESIUM SALT
MI  
Common Name English
Code System Code Type Description
PUBCHEM
9568613
Created by admin on Sat Dec 16 05:01:32 UTC 2023 , Edited by admin on Sat Dec 16 05:01:32 UTC 2023
PRIMARY
FDA UNII
925R0D7W1O
Created by admin on Sat Dec 16 05:01:32 UTC 2023 , Edited by admin on Sat Dec 16 05:01:32 UTC 2023
PRIMARY
CAS
161973-10-0
Created by admin on Sat Dec 16 05:01:32 UTC 2023 , Edited by admin on Sat Dec 16 05:01:32 UTC 2023
PRIMARY
SMS_ID
100000085059
Created by admin on Sat Dec 16 05:01:32 UTC 2023 , Edited by admin on Sat Dec 16 05:01:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID5044231
Created by admin on Sat Dec 16 05:01:32 UTC 2023 , Edited by admin on Sat Dec 16 05:01:32 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS