Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 FDA Orange Book

1 FDF Dossiers
1 FDA Orange Book

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Metrizoate meglumine, Isopaque cerebral, Rjy6jr42wq, 7241-11-4, Isopaque coronar, Unii-rjy6jr42wq

Molecular Formula

C₁₉H₂₈I₃N₃O₉

Molecular Weight

823.2 g/mol

InChI Key

TXKOGNLDVKUFSI-WZTVWXICSA-N

FDA UNII

RJY6JR42WQ

Metrizoate Meglumine is mETRIZOATE MEGLUMINE RJY6JR42WQ

1 2D Structure

Methylglucamine Metrizoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

2.1.2 InChI

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

2.1.3 InChI Key

TXKOGNLDVKUFSI-WZTVWXICSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNCC(C(C(C(CO)O)O)O)O

2.1.5 Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

RJY6JR42WQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Isopaque Cerebral

2. Isopaque Coronar

3. Meglumine Calcium Metrizoate

4. Methylglucamine Metrizoate

5. Methylglucamine Metrizoate Calcium

6. Sodium Meglumine Calcium Metrizoate

2.3.2 Depositor-Supplied Synonyms

1. Metrizoate Meglumine

2. Isopaque Cerebral

3. Rjy6jr42wq

4. 7241-11-4

5. Isopaque Coronar

6. Unii-rjy6jr42wq

7. Metrizoate De Methylglucamine

8. Schembl1237977

9. Chembl1200353

10. Einecs 230-641-3

11. Meglumine Metrizoate [mart.]

12. Meglumine Metrizoate [who-dd]

13. Metrizoate De Methylglucamine [french]

14. 1-deoxy-1-(methylamino)-d-glucitol 3-(acetylamino)-5-(acetyl Methylamino)-2,4,6-triiodobenzoate(salt) Mixt. With 3-(acetylamino)-5-(acetylmethylamino)-2,4,6,- Triiodobenzoic Acid Calcium Salt (2:1)

15. Meglumine Metrizoate [orange Book]

16. Q27288154

17. 1-deoxy-1-(methylamino)-d-glucitol 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate

18. 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

19. Benzoic Acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, Compd. With D-glucitol, 1-deoxy-1-(methylamino)- (1:1)

20. D-glucitol, 1-deoxy-1-(methylamino)-, 3-acetamido-5-(n-methylacetamido)-2,4,6-triiodobenzoate (salt)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₈I₃N₃O₉
Molecular Weight	823.2 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	822.8960 g/mol
Monoisotopic Mass	822.8960 g/mol
Topological Polar Surface Area	200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2