CALCIUM DISODIUM CYCLOHEXANE-1,2-DIAMINE-N,N,N',N'-TETRAACETATE, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H18N2O8.Ca.2Na
Molecular Weight	428.359
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM DISODIUM CYCLOHEXANE-1,2-DIAMINE-N,N,N',N'-TETRAACETATE, TRANS-

Structure Search

SMILES

[Na+].[Na+].[Ca++].[O-]C(=O)CN(CC([O-])=O)[C@@H]1CCCC[C@H]1N(CC([O-])=O)CC([O-])=O

InChI

InChIKey=BVCYXLTWDJJMPM-JOXSFUCDSA-J

InChI=1S/C14H22N2O8.Ca.2Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;/q;+2;2*+1/p-4/t9-,10-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	C14H18N2O8
Molecular Weight	342.3013
Charge	-4
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:42 GMT 2023` Edited by `admin` on `Sat Dec 16 08:55:42 GMT 2023`
Record UNII	8588WO43J3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM DISODIUM CYCLOHEXANE-1,2-DIAMINE-N,N,N',N'-TETRAACETATE, TRANS-

Common Name

English

SODIUM ((CYCLOHEXYLENEDINITRILO)TETRAACETATO)CALCIATE

Common Name

English

ACETIC ACID, 2,2',2'',2'''-(1,2-CYCLOHEXYLENEDINITRILO)TETRAKIS-, CALCIUM DISODIUM SALT, TRANS-

Common Name

English

GLYCINE, N,N'-1,2,-CYCLOHEXANEDIYLBIS(N-(CARBOXYMETHYL)-, CALCIUM SODIUM SALT (1:1:2), TRANS-

Systematic Name

English

GLYCINE, N,N'-CYCLOHEXANEDIYLBIS(N-(CARBOXYMETHYL)-, CALCIUM SODIUM SALT (1:1:2)

Common Name

English

Code System Code Type Description

CAS

5297-16-5