PENTETATE CALCIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18N3O10.Ca.3H
Molecular Weight	431.409
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BHRQIJRLOVHRKH-UHFFFAOYSA-L

InChI=1S/C14H23N3O10.Ca/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/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	C14H18N3O10
Molecular Weight	388.3068
Charge	-5
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 `Fri Dec 15 15:24:59 UTC 2023` Edited by `admin` on `Fri Dec 15 15:24:59 UTC 2023`
Record UNII	W0655Y0HSJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTETATE CALCIUM

Common Name

English

DTPA-CA

Common Name

English

CALCIUM DIETHYLENETRIAMINEPENTAACETATE

Common Name

English

CALCIUM DIETHYLENETRIAMINEPENTAACETIC ACID

Common Name

English

CA-DTPA

Common Name

English

DIETHYLENETRIAMINE PENTAACETIC ACID, CALCIUM SALT

Common Name

English

CALCIUM DTPA

Common Name

English

GLYCINE, N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, CALCIUM SALT (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62357