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Basic information

  • Name:
  • Nafcillin sodium salt monohydrate

  • CAS No.:
  • 7177-50-6

  • Molecular Structure:
  • Formula:
  • C21H23N2NaO6S
  • Molecular Weight:
  • 414.4748
  • Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-, monosodium salt,monohydrate (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodiumsalt, monohydrate, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodiumsalt, monohydrate, [2S-(2a,5a,6b)]-;Nafcillin sodium hydrate;Sodium6-(2-ethoxy-1-naphthamido)penicillanate monohydrate;Sodium nafcillinmonohydrate;
  • Density:
  • 1.42 g/cm3
  • Boiling Point:
  • 714.1 °C at 760 mmHg
  • Flash Point:
  • 385.7 °C
  • Appearance:
  • white powder
  • Hazard Symbols:
  • Irritant
  • Risk Codes:
  • 36/37/38-42/43
  • Safety Description:
  • 26-36 Details

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Chemistry

Product Name: Nafcillin sodium salt monohydrate (CAS NO.7177-50-6)

MF: C21H23N2NaO6S               
MW: 454.47
Apperance: white power
Flash Point: 382.6 °C
Boiling Point: 709 °C
Storage temp: 2-8 °C
Enthalpy of Vaporization: 109.6 kJ/mol
Vapour Pressure: 2.11E-21 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of Nafcillin sodium salt monohydrate (CAS NO.7177-50-6):
  IUPAC Name: sodium(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate
  Canonical SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
  Isomeric SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+]
  InChI: InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1 
  InChIKey: OCXSDHJRMYFTMA-KMFBOIRUSA-M
Classification Code: Antibacterial

Uses

 Nafcillin sodium salt monohydrate (CAS NO.7177-50-6) is used as API.

Safety Profile

Safety information of Nafcillin sodium salt monohydrate (CAS NO.7177-50-6):
Hazard Codes  Xn
Risk Statements 
36/37/38  Irritating to eyes, respiratory system and skin
42/43  May cause sensitization by inhalation and skin contact
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36  Wear suitable protective clothing
WGK Germany  3

Specification

  Nafcillin sodium salt monohydrate , its CAS NO. is 7177-50-6, the synonyms are Nafcillin sodium salt monohydrate ; Nafcillin sodium ; 6-(2-Ethoxy-1-naphthamido)penicillin ; Sodium (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate ; Nafcillinsodiumsterile .

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