N-Acetyl Mesalazine-d3

CAS

93968-79-7

Catalog Number

ACM93968797

Category

Other Products

Molecular Weight

198.19

Molecular Formula

C9H6D3NO4

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

5-(Acetylamino-d3)-2-hydroxybenzoic Acid; 3-Carboxyparacetamol-d3;
5-Acetamidosalicylic Acid-d3; CJ 46A-d3; N-Acetylmesalamine-d3; N-(Acetyl-d3)-5-aminosalicylic Acid; NSC 54183-d3;

IUPAC Name

2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid

Canonical SMILES

CC(=O)NC1=CC(=C(C=C1)O)C(=O)O

InChI Key

GEFDRROBUCULOD-FIBGUPNXSA-N

Boiling Point

480.202ºC at 760 mmHg

Flash Point

244.217ºC

Density

1.485g/cm³

Appearance

Off-White to Tan Solid

Exact Mass

198.07200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of N-Acetyl Mesalazine-d3?

The molecular formula of N-Acetyl Mesalazine-d3 is C9H9NO4.

What are the synonyms for N-Acetyl Mesalazine-d3?

The synonyms for N-Acetyl Mesalazine-d3 include 93968-79-7, 2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid, 5-[(~2~H_3_)Ethanoylamino]-2-hydroxybenzoic acid, and DTXSID60675516.

What is the molecular weight of N-Acetyl Mesalazine-d3?

The molecular weight of N-Acetyl Mesalazine-d3 is 198.19 g/mol.

What is the IUPAC name of N-Acetyl Mesalazine-d3?

The IUPAC name of N-Acetyl Mesalazine-d3 is 2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid.

What is the InChI code of N-Acetyl Mesalazine-d3?

The InChI code of N-Acetyl Mesalazine-d3 is InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)/i1D3.

What is the InChIKey of N-Acetyl Mesalazine-d3?

The InChIKey of N-Acetyl Mesalazine-d3 is GEFDRROBUCULOD-FIBGUPNXSA-N.

What is the canonical SMILES of N-Acetyl Mesalazine-d3?

The canonical SMILES of N-Acetyl Mesalazine-d3 is CC(=O)NC1=CC(=C(C=C1)O)C(=O)O.

What is the isomeric SMILES of N-Acetyl Mesalazine-d3?

The isomeric SMILES of N-Acetyl Mesalazine-d3 is [2H]C([2H])([2H])C(=O)NC1=CC(=C(C=C1)O)C(=O)O.