CALCIUM AMIDOTRIZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C11H8I3N2O4.Ca
Molecular Weight	1265.889
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM AMIDOTRIZOATE

Structure Search

SMILES

[Ca++].CC(=O)NC1=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C1I.CC(=O)NC2=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C2I

InChI

InChIKey=OGZVYZHRAZNXGE-UHFFFAOYSA-L

InChI=1S/2C11H9I3N2O4.Ca/c2*1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h2*1-2H3,(H,15,17)(H,16,18)(H,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	C11H8I3N2O4
Molecular Weight	612.9056
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 `Sat Dec 16 15:09:22 GMT 2023` Edited by `admin` on `Sat Dec 16 15:09:22 GMT 2023`
Record UNII	QUN7V7A9UT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM AMIDOTRIZOATE

Common Name

English

Calcium amidotrizoate [WHO-DD]

Common Name

English

BENZOIC ACID, 3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODO-, CALCIUM SALT (2:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

23651526

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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CAS

5949-45-1

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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EPA CompTox

DTXSID10350689

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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FDA UNII

QUN7V7A9UT

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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EVMPD

SUB13162MIG

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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SMS_ID

100000076561

Created by admin on Sat Dec 16 15:09:22 GMT 2023 , Edited by admin on Sat Dec 16 15:09:22 GMT 2023

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