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Desacetyl Cefathiamidine

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Desacetyl Cefathiamidine / CAS : 958001-61-1

Appearance - UN -
HS 30032019 DG Class -
Synonyms Deacetylcefathiamidine; 5-Thia-1-Azabicyclo[4.2.0]oct-2-ene-2-Carboxylic acid, 3-(Hydroxymethyl)-7-[[2-[[[(1-Methylethyl)Amino][(1-Methylethyl)Imino]Methyl]thio]Acetyl]Amino]-8-oxo-, (6R,7R)-; (6R,7R)-7-[[2-[N,N'-di(Propan-2-yl)Carbamimidoyl]Sulfanylacetyl]Amino]-3-(Hydroxymethyl)-8-oxo-5-thia-1-Azabicyclo[4.2.0]oct-2-ene-2-Carboxylic acid
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Properties

Summary

Formula
C17H26N4O5S2
Molecular Mass
430.54200
Exact Mass
430.13400
PSA
181.93000
Logp
0.93260
IUPAC
(6R,7R)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
CC(C)NC(=NC(C)C)SCC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CO)C(=O)O

Attribute classification

Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Density
1.50±0.1 g/cm3 (20 °C, 760 mmHg)

Export information

HS Code
30032019
Export Rebate
13%

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