tomopenem - Moligand™ , CAS No.222400-20-6

CAS: 222400-20-6 Cat. No.: T614503 PubChem CID: 9809656

COA

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GRADE & PURITY Moligand™ ?

Synonyms

1654W9611T | R 1558 | CS 023 | BDBM50385714 | (1r,5s,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-[(2s,4s)-2-[(3s)-3-(2-guanidinoacetylamino)pyrrolidin-1-ylcarbonyl]-1-methylpyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylic acid | TOMOPENEM [WHO-DD] | (4R,5S,6S

Storage

Room temperature

Specifications 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

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Sinónimos

1654W9611T | R 1558 | CS 023 | BDBM50385714 | (1r, 5s, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-[(2s, 4s)-2-[(3s)-3-(2-guanidinoacetylamino)pyrrolidin-1-ylcarbonyl]-1-methylpyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylic acid | TOMOPENEM [WHO-DD] | (4R, 5S, 6S

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Nombres e identificadores

Sonrisas canónicas	CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C)C(=O)N4CCC(C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O
IUPAC Name	(4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey	KEDAXBWZURNCHS-GPODMPQUSA-N
INCHI	1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
Isómeros SMILES	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@@H](C4)NC(=O)CN=C(N)N)C(=O)O)[C@@H](C)O
CAS alternativo	222400-20-6
PubChem CID	9809656
Términos de entrada MeSH	CS 023;CS-023;CS023 cpd;R 115685;R-115685;R115685;RO4908463;tomopenem

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 Organoheterocyclic compounds
  - Clase Lactams
    - Subclass Beta lactams
      - Level5 Carbapenems
        Level6 Thienamycins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Carbapenems
Direct Parent	Thienamycins
Alternative Parents	Alpha amino acid amides N-acylpyrrolidines Pyrrolidinecarboxamides Pyrroline carboxylic acids Azepines Vinylogous thioesters N-alkylpyrrolidines Tertiary carboxylic acid amides Trialkylamines Amino acids Thioenol ethers Azetidines Guanidines Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Thienamycin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Azepine - Vinylogous thioester - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Thioenolether - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Guanidine - Carboxamide group - Azetidine - Amino acid - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Aliphatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
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)

Homo sapiens (32628 Activities)

Peso molecular	537.600 g/mol
XLogP3	-3.700
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	537.237 Da
Monoisotopic Mass	537.237 Da
Topological Polar Surface Area	220.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1050.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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	1

tomopenem - Moligand™ , CAS No.222400-20-6

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reseñas de cliente

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