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diBA-(5)-C4 , CAS No.D609869

COA

Grade & Purity:

Moligand™

PubChem CID: 2733616

In stock

Item Number

D609869

Grouped product items
SKU	Size	Availability	Price	Qty
D609869-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90
D609869-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Basic Description

Synonyms	bis-(1,3-dibutylbarbituric acid)pentamethine oxanol \| oxalon dye
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidones
        Level6 Barbituric acid derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidones
Direct Parent	Barbituric acid derivatives
Alternative Parents	N-acyl ureas Hydroxypyrimidines Hydropyrimidines Diazinanes Vinylogous amides Vinylogous acids Heteroaromatic compounds Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Barbiturate - Hydroxypyrimidine - N-acyl urea - Ureide - 1,3-diazinane - Hydropyrimidine - Dicarboximide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Lactam - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
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	1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione
INCHI	InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12,18-21H2,1-4H3
InChIKey	CQAPPGVBCMJDML-UHFFFAOYSA-N
Smiles	CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC
Isomeric SMILES	CCCCN1C(=C(C(=O)N(C1=O)CCCC)C=CC=CC=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC)O
PubChem CID	2733616

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