(E)-Ceftriaxone

Basic Information

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CAS Number

92143-31-2

Molecular Formula

C18H18N8O7S3

Molecular Weight

554.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8+/t9-,15-/m1/s1

InChIKey

VAAUVRVFOQPIGI-TYHRLYECSA-N

LogP

-1.6112999999999966

Topological Polar Surface Area

214.95999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 15

Complexity

1110

Synonyms & References

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2E)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-,(6R,7R)- (9CI)
(E)-Ceftriaxone
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2E)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-,(6R,7R)
cefatriaxone
Ceftriaxone impurity A
(6R,7R)-7-[[(2E)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (ACI)
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, [6R-[6α,7β(E)]]- (ZCI)
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, (6R,7R)- (9CI)
Ro 15-2254
(6R,7R)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BIDD:GT0741
(6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
104376-79-6
73384-59-5
SCHEMBL23356
SCHEMBL1447498
CHEMBL552182
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ceftriaxone
BSPBio_002274
GTPL5326
BRD-K38010979-324-03-7
92143-31-2
CEFTRIAXONE SODIUM
(6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-aza bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
DTXSID0022773
Epitope ID:118239
NS00007027
Q421713

MDL Number

MFCD09028030

FAQ

What regulatory guidelines apply to (E)-Ceftriaxone (CAS: 92143-31-2)?

(E)-Ceftriaxone (CAS: 92143-31-2) is subject to regulatory guidelines under GHS (Globally Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the EU, and FDA and EPA regulations in the United States. It is classified as an antibiotic and is subject to stringent control for safety, efficacy, and environmental impact.

Are there alternatives to (E)-Ceftriaxone (CAS: 92143-31-2) in synthesis?

There are alternative compounds that can be used in the synthesis of (E)-Ceftriaxone, such as analogs like ceftriaxone sodium and isomers like (Z)-ceftriaxone. Common alternative reagents include β-lactam ring-opening reagents and other β-lactam building blocks.

What is the market or research trend for (E)-Ceftriaxone (CAS: 92143-31-2)?

The market for (E)-Ceftriaxone is driven by its widespread use as an antibiotic, particularly in treating severe infections. Research trends focus on the development of more effective and less resistant antibiotic alternatives. Market trends indicate a steady demand, with occasional fluctuations due to new antibiotic discoveries and clinical trial outcomes.

How should waste containing (E)-Ceftriaxone (CAS: 92143-31-2) be handled?

Waste containing (E)-Ceftriaxone (CAS: 92143-31-2) should be collected in a closed container and disposed of through a professional waste disposal service. Incineration is a common method for disposal, and environmental precautions include proper containment to prevent contamination of soil and water. Regulatory compliance is essential to ensure safe disposal and minimize environmental impact.