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Rebamipide-d4 , CAS No.1219409-06-9

COA

Cas Number: 1219409-06-9
Molecular Weight: 374.81
PubChem CID: 57369397

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Item Number

R334088

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SKU	Size	Availability	Price	Qty
R334088-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90

a biochemcial that shows antiulcer activity in rats.

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Class A GPCR (4138) GPCR/G Protein (3172) Prostaglandin Receptor (169)

Basic Description

Synonyms	α-[(4-Chlorobenzoyl-d4)-amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic Acid \| OPC-12759-d4 \| Mucosta-d4 \| Proamipide-d4
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Rebamipide-d4 is a biochemcial that shows antiulcer activity in rats.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids Hydroquinolones 4-halobenzoic acids and derivatives Hydroquinolines Benzoyl derivatives Pyridinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Dihydroquinolone - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Quinoline - Dihydroquinoline - Benzoyl - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-[(4-chloro-2,3,5,6-tetradeuteriobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
INCHI	InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/i5D,6D,7D,8D
InChIKey	ALLWOAVDORUJLA-KDWZCNHSSA-N
Smiles	C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)NC(CC2=CC(=O)NC3=CC=CC=C32)C(=O)O)[2H])[2H])Cl)[2H]
PubChem CID	57369397
Molecular Weight	374.81

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	>268° C (dec.)
Molecular Weight	374.800 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	374.097 Da
Monoisotopic Mass	374.097 Da
Topological Polar Surface Area	95.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	598.000
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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