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 (CAS NO.7177-50-6) is used as API.
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 , 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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