Metrizamide - ≥90% , Diagnostic agent, CAS No.31112-62-6, Diagnostic agent

CAS: 31112-62-6 Cat. No.: M352882 Peso molecular: 789.1 Beilstein Registry Number: 6758226 Número EC: 250-475-5

COA

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Metrizamide - ≥90% CAS No(31112-62-6) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥90%

Synonyms

D01311 | Q6824399 | AB00513843 | SR-01000841219 | metrizamide | Tox21_110619 | 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide | SCHEMBL16984723 | HMS3713M08 | AB00513843_06 | DTXSID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Descripción general

Metrizamide is a non-ionic iodine-based radiocontrast agent. Diagnosing rabbits in a research environment suggested that Metrizamide is minimal neurotoxicity. In the centrifugation of biological particles, Metrizamide can be considered as a density gradient medium. Like other acylaminosugars, Metrizamide is an organic compound with a sugar linked to its chain through an N-acyl group. In a clinical setting Metrizamide shows promise as a replacement for iofendylate, and in myelography, the contrast agent of choice.

Specifications

Sinónimos

D01311 | Q6824399 | AB00513843 | SR-01000841219 | metrizamide | Tox21_110619 | 3-acetamido-5-[acetyl(methyl)amino]-2, 4, 6-triiodo-N-[(3R, 4R, 5S, 6R)-2, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide | SCHEMBL16984723 | HMS3713M08 | AB00513843_06 | DTXSID

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Diagnostic agent

Pureza

≥90%

Propiedades del producto

pKa	pKa: 10.39, 11.98 (Predicted)

Nombres e identificadores

Pubchem Sid	504758815
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758815
Sonrisas canónicas	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(=O)C)I
IUPAC Name	3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
InChIKey	BAQCROVBDNBEEB-UBYUBLNFSA-N
INCHI	1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1
Isómeros SMILES	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)I)N(C)C(=O)C)I
WGK Alemania	2
RTECS	LZ6650000
Peso molecular	789.1
Beilstein	6758226
Reaxy-Rn	25447887
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25447887&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 Amino sugars
        Level7 Acylaminosugars

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Aminosaccharides - Amino sugars
Direct Parent	Acylaminosugars
Alternative Parents	N-acyl-alpha-hexosamines Acylaminobenzoic acid and derivatives Hexoses P-haloacetanilides O-haloacetanilides 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides N-acetylarylamines Benzoyl derivatives Iodobenzenes Aryl iodides Oxanes Tertiary carboxylic acid amides Acetamides Vinylogous halides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Carbonyl compounds Organoiodides Organopnictogen compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Acylaminosugar - N-acyl-alpha-hexosamine - Acylaminobenzoic acid or derivatives - Hexose monosaccharide - O-haloacetanilide - P-haloacetanilide - Haloacetanilide - Acetanilide - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acetylarylamine - Benzamide - Anilide - Benzoic acid or derivatives - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Monocyclic benzene moiety - Aryl halide - Oxane - Aryl iodide - Monosaccharide - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
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

Estructura 3D

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)

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MC3R Tchem Melanocortin receptor 3 (5659 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mc4r Melanocortin receptor 4 (1205 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pde4d Phosphodiesterase 4D (4 Activities)

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Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Fecha	Articulo
B2316038	Certificate of Analysis	Oct 30, 2025	M352882
B2316041	Certificate of Analysis	Oct 30, 2025	M352882

Propiedades químicas y físicas

Solubilidad	Soluble in water (500 mg/ml at 25° C), Isopropyl Alcohol, DMSO, methanol, and water (789.1 mg/ml at 20° C).
Índice de refracción	n20D1.76 (Predicted)
Rotación específica [α]	α20D+18±1, c = 5 in water; α20D+18, c = 10 in 0.1 N HCl
Punto de ebullición (°C)	828.45° C at 760 mmHg (Predicted)
Punto de fusión (°C)	222-224° C (lit.)(dec.)
Peso molecular	789.100 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	788.854 Da
Monoisotopic Mass	788.854 Da
Topological Polar Surface Area	169.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	719.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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