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Nafcillin sodium salt monohydrate

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Name

Nafcillin sodium salt monohydrate

EINECS 628-594-2
CAS No. 7177-50-6 Density 1.42 g/cm3
PSA 133.30000 LogP 1.41360
Solubility N/A Melting Point N/A
Formula C21H23N2NaO6S Boiling Point 714.1 °C at 760 mmHg
Molecular Weight 414.4748 Flash Point 385.7 °C
Transport Information N/A Appearance white powder
Safety 26-36 Risk Codes 36/37/38-42/43
Molecular Structure Molecular Structure of 7177-50-6 (Nafcillin sodium salt monohydrate) Hazard Symbols Irritant
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;

 

Nafcillin sodium salt monohydrate Chemical Properties

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

Nafcillin sodium salt monohydrate Uses

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

Nafcillin sodium salt monohydrate 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

Nafcillin sodium salt monohydrate 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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