THEOBROMINE MAGNESIUM OLEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H33O2.C7H7N4O2.Mg
Molecular Weight	484.9145
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of THEOBROMINE MAGNESIUM OLEATE

Structure Search

SMILES

[Mg++].CN1C=NC2=C1C(=O)[N-]C(=O)N2C.CCCCCCCC\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=CMAIXUNGPMYEQR-XXAVUKJNSA-L

InChI=1S/C18H34O2.C7H8N4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H3,(H,9,12,13);/q;;+2/p-2/b10-9-;;

HIDE SMILES / InChI

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	C18H33O2
Molecular Weight	281.4534
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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 `Fri Dec 15 15:26:35 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:35 UTC 2023`
Record UNII	3L7IL2RTM6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEOBROMINE MAGNESIUM OLEATE

Systematic Name

English

OLEIC ACID, MAGNESIUM SALT, COMPD. WITH THEOBROMINE

Common Name

English

ATHEMOL

Brand Name

English

THMO

Common Name

English

Theobromine magnesium oleate [WHO-DD]

Common Name

English

MAGNESIUM 3,7-DIMETHYLXANTHINE OLEATE

Common Name

English

Code System Code Type Description

CAS

6767-73-3