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Technical details about Cefmenoxime HCl, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Cefmenoxime hcl, Chebi:31370, Cmx, (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]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 hydrochloride (2:1), 7beta-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic acid hydrochloride (2:1)
Molecular Formula
C32H35ClN18O10S6
Molecular Weight
1059.6  g/mol
InChI Key
MPTNDTIREFCQLK-UNVJPQNDSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydron;chloride
2.1.2 InChI
InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
2.1.3 InChI Key
MPTNDTIREFCQLK-UNVJPQNDSA-N
2.1.4 Canonical SMILES
[H+].CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.[Cl-]
2.1.5 Isomeric SMILES
[H+].CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Cefmenoxime Hcl

2. Chebi:31370

3. Cmx

4. (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]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 Hydrochloride (2:1)

5. 7beta-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic Acid Hydrochloride (2:1)

2.3 Create Date
2010-05-07
3 Chemical and Physical Properties
Molecular Weight 1059.6 g/mol
Molecular Formula C32H35ClN18O10S6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count29
Rotatable Bond Count16
Exact Mass1058.0796341 g/mol
Monoisotopic Mass1058.0796341 g/mol
Topological Polar Surface Area539 Ų
Heavy Atom Count67
Formal Charge0
Complexity890
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
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