Cephradine | CAS No. 38821-53-3

Cephradine

Basic Information

CAS Number

38821-53-3

Molecular Formula

C16H19N3O4S

Molecular Weight

349.41 g/mol

AD

Basic Physical Properties

Melting Point

140-142 C

Boiling Point

693.1±55.0°C at 760 mmHg

Water Solubility

Soluble in water

Flash Point

>110°(230°F)

Solubility

1 M NH4OH: soluble50mg/mL

Refractive Index

1.6320 (estimate)

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

InChI

InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

InChIKey

RDLPVSKMFDYCOR-UEKVPHQBSA-N

LogP

0.3486000000000002

pKa

2.63, 7.27(at 25℃)

Topological Polar Surface Area

112.73 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

697

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H317H317
H319H319
H334H334
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • HSDB 3216
  • SK&F D-39304
  • BCPP000291
  • NSC-756672
  • CEFRADINE [JAN]
  • (6R,7R)-7-((R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • VELOSEF '125'
  • C2988
  • CHEMBL1604
  • Cefradinum [INN-Latin]
  • Cefradinum
  • D00264
  • SQ-22022
  • Epitope ID:116210
  • NSC 756672
  • NS00093578
  • Cekodin
  • AS-75158
  • NCGC00183036-01
  • 7-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-caboxylic acid
  • Cephradin
  • EINECS 254-137-8
  • BCP9000506
  • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO-1,4-CYCLOHEXADIEN-1-YLACETYL)AMINO)-3-METHYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*)))-
  • DTXCID002785
  • EN300-6479201
  • C74975
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino-1,4-cyclohexadien-1-ylacetyl]amino]-3-methyl-8-oxo-,(6R,7R)-
  • HMS502E21
  • 9YA6SX5S4D

MDL Number

MFCD00865048

Customs Code

29419054

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