Pantoprazole Magnesium dihydrate

Details

Stereochemistry	MIXED
Molecular Formula	2C16H14F2N3O4S.Mg.2H2O
Molecular Weight	825.059
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pantoprazole Magnesium dihydrate

Structure Search

SMILES

O.O.[Mg++].COC1=CC=NC(C[S+]([O-])C2=NC3=CC(OC(F)F)=CC=C3[N-]2)=C1OC.COC4=CC=NC(C[S+]([O-])C5=NC6=CC(OC(F)F)=CC=C6[N-]5)=C4OC

InChI

InChIKey=HBYMHJOUGBMDHH-UHFFFAOYSA-N

InChI=1S/2C16H14F2N3O4S.Mg.2H2O/c2*1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;;;/h2*3-7,15H,8H2,1-2H3;;2*1H2/q2*-1;+2;;

HIDE SMILES / InChI

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H14F2N3O4S
Molecular Weight	382.362
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:43:59 UTC 2023` Edited by `admin` on `Sat Dec 16 18:43:59 UTC 2023`
Record UNII	9G7ZX364TY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pantoprazole Magnesium dihydrate

Common Name

English

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, magnesium salt, hydrate

Systematic Name

English

1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, magnesium salt, hydrate (2:1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

164512899

Created by admin on Sat Dec 16 18:44:00 UTC 2023 , Edited by admin on Sat Dec 16 18:44:00 UTC 2023

PRIMARY

FDA UNII

9G7ZX364TY

Created by admin on Sat Dec 16 18:44:00 UTC 2023 , Edited by admin on Sat Dec 16 18:44:00 UTC 2023

PRIMARY

CAS

471293-63-7

Created by admin on Sat Dec 16 18:44:00 UTC 2023 , Edited by admin on Sat Dec 16 18:44:00 UTC 2023

PRIMARY

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