THEOBROMINE SODIUM SALICYLATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N4O2.C7H4O3.2Na.H2O
Molecular Weight	380.2637
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THEOBROMINE SODIUM SALICYLATE MONOHYDRATE

Structure Search

SMILES

O.[Na+].[Na+].[O-]C(=O)C1=C([O-])C=CC=C1.CN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChIKey=MWKXONJZCRBEBM-UHFFFAOYSA-L

InChI=1S/C7H8N4O2.C7H6O3.2Na.H2O/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;;;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

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	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C7H8N4O2
Molecular Weight	180.164
Charge	0
Count

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

Molecular Formula	C7H5O3
Molecular Weight	137.1128
Charge	-1
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 15:07:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:07:11 UTC 2023`
Record UNII	P6VR6P4A5V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEOBROMINE SODIUM SALICYLATE MONOHYDRATE

Systematic Name

English

THEOBROMINE SODIUM SALICYLATE [JAN]

Common Name

English

THEOBROMINE SODIUM SALICYLATE

Systematic Name

English

Theobromine sodium salicylate [WHO-DD]

Common Name

English

DIURETIN

Brand Name

English

EQUIMOLAR MIXTURE OF SODIUM THEOBROMINE, SODIUM SALICYLATE AND WATER

Common Name

English

THEOBROMINE SODIUM SALICYLATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

P6VR6P4A5V