(6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

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CAS Number

958001-61-1

Molecular Formula

C17H26N4O5S2

Molecular Weight

430.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)N/C(=N\C(C)C)/SCC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CO)C(=O)O

InChI

InChI=1S/C17H26N4O5S2/c1-8(2)18-17(19-9(3)4)28-7-11(23)20-12-14(24)21-13(16(25)26)10(5-22)6-27-15(12)21/h8-9,12,15,22H,5-7H2,1-4H3,(H,18,19)(H,20,23)(H,25,26)/t12-,15-/m1/s1

InChIKey

QADCFKFWDVDMNO-IUODEOHRSA-N

LogP

0.21290000000000098

Topological Polar Surface Area

131.33 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

708

Synonyms & References

English

Desacetyl Cefathiamidine
CEFATHIAMIDINE IMPURITY 10
(6R,7R)-7-(2-((E)-N,N'-diisopropylcarbamimidoylthio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-(Hydroxymethyl)-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (ACI)
Deacetylcefathiamidine

MDL Number

MFCD24386614

FAQ

What is (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1)?

This compound is a complex organic molecule with the CAS number 958001-61-1. It features a thia-bicyclo ring structure with specific stereochemistry at the 6 and 7 positions, and a carboxylic acid group. It shows unique chemical properties and is used in various applications due to its structure and reactivity.

What are the main uses of (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1)?

This compound is primarily used in pharmaceuticals for its potential therapeutic applications. It is also used in research and development for studying specific biological pathways and as a chemical intermediate in the synthesis of other compounds.

Is (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1) safe?

Safety handling of this compound requires appropriate precautions. It should be handled under appropriate laboratory conditions, and proper personal protective equipment should be worn. Storage under controlled conditions and in a well-ventilated area is essential to minimize exposure and hazards.

How should (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air. Proper storage conditions are essential to maintain its stability and purity.

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Compound Q&A

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Compound Q&A

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Compound Q&A

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(6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 958001-61-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What is (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1)?

What are the main uses of (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1)?

Is (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1) safe?

How should (6R,7R)-7-({[(N,N'-Diisopropylcarbamimidoyl)sulfanyl]acetyl}amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 958001-61-1) be stored?

Related Compounds

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What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Supplier Information

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Shenyang Moded Medicina Technology Co., Ltd.

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