Cefotiam | CAS No. 61622-34-2

Cefotiam

Basic Information

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CAS Number

61622-34-2

Molecular Formula

C18H23N9O4S3

Molecular Weight

525.64 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

Boiling Point

843℃

Flash Point

>110°(230°F)

SMILES

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CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1

InChIKey

QYQDKDWGWDOFFU-IUODEOHRSA-N

LogP

-0.6531999999999973

Topological Polar Surface Area

172.45999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

848

Synonyms & References

English

CEFOTIAM [JAN]
SCHEMBL149538
cefotiam
QYQDKDWGWDOFFU-IUODEOHRSA-N
AB00514684
Prestwick1_000482
Aspil (TN)
HY-B0734
J01DC07
Cefotiam [INN:BAN]
CEFOTIAM [MI]
Prestwick2_000482
GTPL12254
C21544
CHEBI:355510
Prestwick3_000482
SPBio_002264
CTM
BPBio1_000379
(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefotiamum
(6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)acetamido]-3-[({1-[2-(dimethylamino)ethyl]-1H-1,2,3,4-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid
7beta-[ 2-(2-aminothiazol-4-yl) acetamido]-3-[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid
(6R,7R)-7-(2-(2-aminothiazol-4-yl)acetamido)-3-((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BSPBio_000343
CS-0009630
(6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)-

MDL Number

MFCD00865087

FAQ

What regulatory guidelines apply to Cefotiam (CAS: 61622-34-2)?

Cefotiam (CAS: 61622-34-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a pharmaceutical agent. It must comply with REACH regulations in the EU, which require manufacturers and importers to register chemicals and provide safety data sheets. In the US, it is subject to FDA requirements for pharmaceuticals and must conform to EPA guidelines for the handling and disposal of hazardous substances.

Are there alternatives to Cefotiam (CAS: 61622-34-2) in synthesis?

There are several alternatives to Cefotiam (CAS: 61622-34-2) in synthesis, including cephalosporins like cefuroxime and ceftriaxone. These alternatives can serve similar antibacterial purposes and are often used in clinical settings as substitutes depending on the specific infection and patient needs. Common alternative reagents include different β-lactam antibiotics with varying antibiotic spectra.

What is the market or research trend for Cefotiam (CAS: 61622-34-2)?

Cefotiam (CAS: 61622-34-2) is a key antibacterial agent in the cephalosporin class, and its market trend reflects the ongoing need for effective antibiotics against resistant bacterial strains. Research trends focus on developing new cephalosporins with broader or more targeted spectra. Market dynamics show a steady demand with occasional fluctuations based on the emergence of resistant pathogens and changes in healthcare policies.

How should waste containing Cefotiam (CAS: 61622-34-2) be handled?

Waste containing Cefotiam (CAS: 61622-34-2) should be collected in appropriate containers and labeled as hazardous. Proper incineration or professional waste disposal services should be utilized to ensure safe disposal. Environmental protection measures include minimizing contamination of soil and water, and following local regulations for the disposal of pharmaceutical waste. Safety precautions should be observed to prevent exposure and ensure the waste is handled by trained professionals.