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

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

COA

Skip to the end of the images gallery

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

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 Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

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

🌡

Storage & shipping

Room temperature Ships 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.

Specifications

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

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

Canonical Smiles	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
Isomeric 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
Alternate CAS	222400-20-6
PubChem CID	9809656
MeSH Entry Terms	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.

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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

3D Structure

Associated Targets(Human)

Homo sapiens (32628 Activities)

Molecular Weight	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

Customer Reviews

Need help choosing the grade?

View related series