METAMIZOLE CALCIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C13H16N3O4S.Ca
Molecular Weight	660.776
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METAMIZOLE CALCIUM

Structure Search

SMILES

[Ca++].CN(CS([O-])(=O)=O)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2.CN(CS([O-])(=O)=O)C3=C(C)N(C)N(C3=O)C4=CC=CC=C4

InChI

InChIKey=XKZGUGAVQVMMAD-UHFFFAOYSA-L

InChI=1S/2C13H17N3O4S.Ca/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C13H16N3O4S
Molecular Weight	310.349
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 18:30:18 GMT 2023` Edited by `admin` on `Fri Dec 15 18:30:18 GMT 2023`
Record UNII	T2GJX42UMD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METAMIZOLE CALCIUM

Common Name

English

Metamizole calcium [WHO-DD]

Common Name

English

METHANESULFONIC ACID, 1-((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)-, CALCIUM SALT (2:1)

Common Name

English

METHANESULFONIC ACID, ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)-, CALCIUM SALT

Common Name

English

Code System Code Type Description

CAS

51996-59-9

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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ECHA (EC/EINECS)

257-592-0

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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PUBCHEM

21117887

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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FDA UNII

T2GJX42UMD

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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EVMPD

SUB03188MIG

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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SMS_ID

100000085943

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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EPA CompTox

DTXSID30199951

Created by admin on Fri Dec 15 18:30:18 GMT 2023 , Edited by admin on Fri Dec 15 18:30:18 GMT 2023

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