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Basic information

  • Name:
  • Imidazo[1,2-b]pyridazinium,1-[[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,chloride (1:1)

  • Superlist Name:
  • Cefozopran hydrochloride
  • CAS No.:
  • 113981-44-5

  • Molecular Structure:
  • Formula:
  • C19H18ClN9O5S2
  • Molecular Weight:
  • 551.99
  • Deleted CAS:
  • 125905-00-2
  • Synonyms:
  • Imidazo[1,2-b]pyridazinium,1-[[(6R,7R)-7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,chloride (9CI);Imidazo[1,2-b]pyridazinium,1-[[7-[[(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,chloride, [6R-[6a,7b(Z)]]-;Cefozopran monohydrochloride;Firstcin;1-{[(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1H-imidazo[1,2-b]pyridazin-4-ium chloride;

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Specification

The Cefozopran hydrochloride, with the CAS registry number 113981-44-5, has the systematic name of 1-{[(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1H-imidazo[1,2-b]pyridazin-4-ium chloride. It belongs to the product categories of Cefozopran Hydrochloride and its intermediates. The molecular formula of the chemical is C19H18ClN9O5S2.

The physical properties of Cefozopran hydrochloride are as followings: (1)#H bond acceptors: 14; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 192.99 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sn3)N)Cn5c4cccn[n+]4cc5)C(=O)O
(2)InChI: InChI=1/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
(3)InChIKey: NTJHUKMPVIFDNY-XFDPNJHTBZ

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