METRIZOATE MEGLUMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H11I3N2O4.C7H17NO5
Molecular Weight	823.1537
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=TXKOGNLDVKUFSI-WZTVWXICSA-N

InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-3H3,(H,16,18)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C12H11I3N2O4
Molecular Weight	627.9402
Charge	0
Count

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

Molecular Formula	C7H17NO5
Molecular Weight	195.2136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:57:37 UTC 2023` Edited by `admin` on `Fri Dec 15 14:57:37 UTC 2023`
Record UNII	RJY6JR42WQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METRIZOATE MEGLUMINE

Common Name

English

MEGLUMINE METRIZOATE

Common Name

English

MEGLUMINE METRIZOATE [ORANGE BOOK]

Common Name

English

BENZOIC ACID, 3-(ACETYLAMINO)-5-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-, COMPD. WITH D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)- (1:1)

Common Name

English

MEGLUMINE METRIZOATE [MART.]

Common Name

English

Meglumine metrizoate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C390