S-Pantoprazole sodium trihydrate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H14F2N3O4S.Na.3H2O
Molecular Weight	459.397
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-Pantoprazole sodium trihydrate

Structure Search

SMILES

O.O.O.[Na+].COC1=CC=NC(C[S@+]([O-])C2=NC3=C([N-]2)C=C(OC(F)F)C=C3)=C1OC

InChI

InChIKey=OKZZKXNJLARKFM-UFEULDPMSA-N

InChI=1S/C16H14F2N3O4S.Na.3H2O/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;;;;/h3-7,15H,8H2,1-2H3;;3*1H2/q-1;+1;;;/t26-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	C16H14F2N3O4S
Molecular Weight	382.362
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:17:30 UTC 2023` Edited by `admin` on `Sat Dec 16 19:17:30 UTC 2023`
Record UNII	CPE89JT8WC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-Pantoprazole sodium trihydrate

Common Name

English

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

Systematic Name

English

S-Pantoprazole sodium trihydrate [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

1416988-58-3

Created by admin on Sat Dec 16 19:17:30 UTC 2023 , Edited by admin on Sat Dec 16 19:17:30 UTC 2023

PRIMARY

FDA UNII

CPE89JT8WC

Created by admin on Sat Dec 16 19:17:30 UTC 2023 , Edited by admin on Sat Dec 16 19:17:30 UTC 2023

PRIMARY

PUBCHEM

44139753

Created by admin on Sat Dec 16 19:17:30 UTC 2023 , Edited by admin on Sat Dec 16 19:17:30 UTC 2023

PRIMARY

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