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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C17H18N3O3S.Sr
Molecular Weight 776.44
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESOMEPRAZOLE STRONTIUM ANHYDROUS

SMILES

[Sr++].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=FEVPVZSYBDUVGY-YPPDDXJESA-N
InChI=1S/2C17H18N3O3S.Sr/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 Sr
Molecular Weight 87.62
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 Fri Dec 15 20:38:51 UTC 2023
Edited
by admin
on Fri Dec 15 20:38:51 UTC 2023
Record UNII
SCC2RK476A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESOMEPRAZOLE STRONTIUM ANHYDROUS
Common Name English
1H-BENZIMIDAZOLE, 5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-, STRONTIUM SALT
Common Name English
(-)-5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL)SULFINYL)-1H- BENZIMIDAZOLE STRONTIUM SALT
Common Name English
1H-BENZIMIDAZOLE, 6-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-, STRONTIUM SALT (2:1)
Common Name English
FM0F67 ANHYDROUS
Code English
Code System Code Type Description
CAS
914613-86-8
Created by admin on Fri Dec 15 20:38:51 UTC 2023 , Edited by admin on Fri Dec 15 20:38:51 UTC 2023
PRIMARY
FDA UNII
SCC2RK476A
Created by admin on Fri Dec 15 20:38:51 UTC 2023 , Edited by admin on Fri Dec 15 20:38:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID30238576
Created by admin on Fri Dec 15 20:38:51 UTC 2023 , Edited by admin on Fri Dec 15 20:38:51 UTC 2023
PRIMARY
PUBCHEM
11954521
Created by admin on Fri Dec 15 20:38:51 UTC 2023 , Edited by admin on Fri Dec 15 20:38:51 UTC 2023
PRIMARY
SMS_ID
100000138852
Created by admin on Fri Dec 15 20:38:51 UTC 2023 , Edited by admin on Fri Dec 15 20:38:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS