7-TMCA
- Iupac Name：(6R,7R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CAS No.: 24209-38-9
- Molecular Weight：328.365
- Modify Date.: 2022-10-25 18:49
- Introduction: 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is a cephalosporin derivative with antibacterial activity. 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics. 7-TMCASupplier
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1. Names and Identifiers
- 1.1 Name
- 7-TMCA
- 1.2 Synonyms
(6R)-7t-amino-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-Amino-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R-trans)-7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R-trans)-7-amino-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(1-Methyl-1H-tetra-zolyl)thiomethyl-7-aminocephalosporanicacid 3-[(1-methyltetrazol-5-ylthio)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-[[(1-Methyl-1H-tetrazol-5-yl)thio]methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ene-2-carboxylic acid 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)- 7-ACA-3-MMT 7-amino-2-carboxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)-thiomethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene 7-AMINO-3-([(1-METHYL-TETRAZOLE-5-YL)-THIO]METHYL)-CEPHALOSPORANIC ACID 7-AMINO-3-(1-METHYL-5-TETRAZOLYLTHIO)METHYL-3-CEPHEM-4-CARBOXYLIC ACID 7-Amino-3-(1-methylt 7-AMINO-3-(1-METHYLTETRAZOL-5-YLTHIOMETHYL)-3-CEPHEM-4-CARBOXYLIC ACID 7-AMino-3-(cisopropyl-1-alkenyl)-3-epheM-4-arboxylic acid 7-Amino-3-[(1-methyl-1H-tetrazo-5-yl)thiomethyl]-3-Cephem-4-carboxylic acid 7-Amino-3-[(1-methyltetrazol-5-yl)-thiomethyl]-cephalosporanic acid 7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)-thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-amino-3-[[(1-methyltetrazol-5-yl)-thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-Amino-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7-AMino-3-Methyl tetrazolyl cephalosporanic acid 7-Amino-3-methyl tetrazolyl cephalosporanic acid (7-TMCA) 7-TMCA(7-ACT) EINECS 246-078-1 MFCD04038120
- 1.3 CAS No.
- 24209-38-9
- 1.4 CID
- 483175
- 1.5 EINECS(EC#)
- 246-078-1
- 1.6 Molecular Formula
- C10H12N6O3S2 (isomer)
- 1.7 Inchi
- InChI=1S/C10H12N6O3S2/c1-15-10(12-13-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)/t5-,8-/m1/s1
- 1.8 InChIkey
- XUTQHTOXGKVJPN-SVGQVSJJSA-N
- 1.9 Canonical Smiles
- CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
- 1.10 Isomers Smiles
- CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
2. Properties
- 2.1 Density
- 2.04
- 2.1 Melting point
- 224-226 °C
- 2.1 Boiling point
- 695.2 oC at 760 mmHg
- 2.1 Refractive index
- 1.956
- 2.1 Flash Point
- 374.2 oC
- 2.1 Precise Quality
- 328.04100
- 2.1 PSA
- 177.83000
- 2.1 logP
- -0.47850
- 2.1 Appearance
- similar white powder
- 2.2 Chemical Properties
- Off-White Solid
- 2.3 pKa
- 2.54±0.50(Predicted)
- 2.4 StorageTemp
- Keep in dark place,Inert atmosphere,2-8°C
3. Use and Manufacturing
- 3.1 Usage
- 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is a cephalosporin derivative with antibacterial activity. 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics. 7-TMCASupplier
4. Safety and Handling
- 4.1 Hazard Codes
- T; N
- 4.1 Risk Statements
- S20/21-S28-S45-S60-S61
- 4.1 Safety Statements
- R23/25:Toxic by inhalation and if swallowed . R33:Danger of cumulative effects. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
- 4.1 Packing Group
- III
- 4.1 RIDADR
- UN 3283 6.1/PG 3
- 4.1 WGK Germany
- 3
- 4.1 Specification
-
Systematic of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)- (CAS NO.24209-38-9) are (6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid .
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
24209-38-9Total: 6 Synthesis Route
8. Other Information
- 8.0 Chemical Properties
- Off-White Solid
- 8.1 Uses
- 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is a cephalosporin derivative with antibacterial activity. 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics.
9. Computational chemical data
- Molecular Weight: 328.365g/mol
- Molecular Formula: C10H12N6O3S2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 328.04123061
- Monoisotopic Mass: 328.04123061
- Complexity: 515
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 178
- Heavy Atom Count: 21
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzsABgAAAAAAAAAAAAAABYAWAAAAAgAAAAAAAQAAABgAAAHgQYCAAADCjFwASDGAdIAgiqAgXQfAAAEANAgJAFSIGIAECCRAggACAUEAAAFgCwEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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7-TMCA
- Purity:99%Packing: 200kg/bag FOB
- Price: 45 USD/kg
- Time: 2023/06/09
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