PIPERAZINE CALCIUM EDETATE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12N2O8.C4H10N2.Ca.2H.2H2O
Molecular Weight	452.471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIPERAZINE CALCIUM EDETATE DIHYDRATE

Structure Search

SMILES

[H+].[H+].O.O.[Ca++].C1CNCCN1.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

InChI

InChIKey=NDTKAUJRDYDHGR-UHFFFAOYSA-L

InChI=1S/C10H16N2O8.C4H10N2.Ca.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2-6-4-3-5-1;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);5-6H,1-4H2;;2*1H2/q;;+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

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	C4H10N2
Molecular Weight	86.1356
Charge	0
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

Molecular Formula	C10H12N2O8
Molecular Weight	288.2109
Charge	-4
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 01:58:44 UTC 2023` Edited by `admin` on `Sat Dec 16 01:58:44 UTC 2023`
Record UNII	Z989U674VV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIPERAZINE CALCIUM EDETATE DIHYDRATE

Systematic Name

English

PIPERAZINE, (OC-6-22)-((N,N'-1,2-ETHANEDIYLBIS(N-(CARBOXYMETHYL)GLYCINATO))(4-)-N,N',O,O',ON,ON')CALCIATE(2-) (1:1), DIHYDRATE

Common Name

English

CALCIATE(2-), ((N,N'-1,2-ETHANEDIYLBIS(N-(CARBOXYMETHYL)GLYCINATO))(4-)-N,N',O,O',ON,ON')-, (OC-6-22)-, DIHYDROGEN, COMPD. WITH PIPERAZINE (1:1), DIHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

Z989U674VV

Created by admin on Sat Dec 16 01:58:44 UTC 2023 , Edited by admin on Sat Dec 16 01:58:44 UTC 2023

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CAS

50322-15-1

Created by admin on Sat Dec 16 01:58:44 UTC 2023 , Edited by admin on Sat Dec 16 01:58:44 UTC 2023

PRIMARY

PUBCHEM

71587159

Created by admin on Sat Dec 16 01:58:44 UTC 2023 , Edited by admin on Sat Dec 16 01:58:44 UTC 2023

PRIMARY

EPA CompTox

DTXSID80198338

Created by admin on Sat Dec 16 01:58:44 UTC 2023 , Edited by admin on Sat Dec 16 01:58:44 UTC 2023

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Related Record Type Details


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PIPERAZINE CALCIUM EDETATE

ANHYDROUS->SOLVATE