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Gadobutrol - 10mM in Water , CAS No.138071-82-6

Gadobutrol - 10mM in Water , CAS No.138071-82-6

Name: Gadobutrol - 10mM in Water , CAS No.138071-82-6
SKU: G421441
Availability: InStock

CAS: 138071-82-6 Cat. No.: G421441 Fórmula: C₁₈H₃₁GdN₄O₉ Peso molecular: 604.71

COA

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Gadobutrol - 10mM in Water CAS No(138071-82-6) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY 10mM in Water

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral Specifications Propriedades do produto Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

Information

Gadobutrol (Gadovist, Gadavist) is a non-ionic macrocyclic gadolinium-based contrast agent (GBCA) that is usedfor tissue contrast enhancement in magnetic resonance imaging (MRI).

Specifications

Sinónimos

Especificações e pureza

10mM in Water

Mecanismos bioquímicos e fisiológicos

Gadobutrol (Gadovist, Gadavist) is a non-ionic macrocyclic gadolinium-based contrast agent (GBCA) that is usedfor tissue contrast enhancement in magnetic resonance imaging (MRI).

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

-6.984

Contagem HBD

Ligação rotativa

Nomes e identificadores

Pubchem Sid

528770180

Sorrisos canónicos

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Gd+3]

IUPAC Name

2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)

InChIKey

ZPDFIIGFYAHNSK-CTHHTMFSSA-K

INCHI

1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m1./s1

SMILES isoméricas

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3]

Peso molecular

604.71

Reaxy-Rn

12426342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12426342&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Classe Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acids
Alternative Parents	Tricarboxylic acids and derivatives 1,3-aminoalcohols Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids Carboxylic acid salts Polyols Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid - Tricarboxylic acid or derivatives - 1,3-aminoalcohol - 1,2-aminoalcohol - Carboxylic acid salt - Amino acid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Polyol - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Organopnictogen compound - Alcohol - Organic salt - Organic zwitterion - Aliphatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

DMSO (mg/mL) Solubilidade máxima	＜1
Água (mg/mL) Solubilidade máxima	100
Água (mM) Solubilidade máxima	165.368523755188
Peso molecular	604.700 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	605.133 Da
Monoisotopic Mass	605.133 Da
Topological Polar Surface Area	194.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	532.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Calculadoras de soluções

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Revisões

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