CGP-19984

Details

Stereochemistry	MIXED
Molecular Formula	C13H18N4O6PS2.Na
Molecular Weight	444.399
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	2
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COP([O-])(=O)OC1SC(=NN=C2SC(C)C(=O)N2CC(C)=C)N(C)C1=O

InChI

InChIKey=NBLRJJYBVOILET-UHFFFAOYSA-M

InChI=1S/C13H19N4O6PS2.Na/c1-7(2)6-17-9(18)8(3)25-13(17)15-14-12-16(4)10(19)11(26-12)23-24(20,21)22-5;/h8,11H,1,6H2,2-5H3,(H,20,21);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C13H18N4O6PS2
Molecular Weight	421.409
Charge	-1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	2
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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:06:03 GMT 2023` Edited by `admin` on `Fri Dec 15 15:06:03 GMT 2023`
Record UNII	5R7K2QF9OR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-19984

Code

English

PHOSPHORIC ACID, MONOMETHYL MONO(3-METHYL-2-((5-METHYL-3-(2-METHYL-2-PROPENYL)-4-OXO-2-THIAZOLIDINYLIDENE)HYDRAZONO)-4-OXO-5-THIAZOLIDINYL) ESTER, SODIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

5R7K2QF9OR

Created by admin on Fri Dec 15 15:06:03 GMT 2023 , Edited by admin on Fri Dec 15 15:06:03 GMT 2023

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PUBCHEM

74087156

Created by admin on Fri Dec 15 15:06:03 GMT 2023 , Edited by admin on Fri Dec 15 15:06:03 GMT 2023

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Related Record Type Details


					LK4D002VJ2

CGP-19984 FREE ACID

PARENT -> SALT/SOLVATE