Phenoxymethylpenicillin benzathine

Base Information

• Chemical Name: Phenoxymethylpenicillin benzathine
• CAS No.: 63690-57-3
• Deprecated CAS: 63690-57-3
• Molecular Formula: C16H20N2^.2(C16H18N2O5S)^.8(H2O)
• Molecular Weight: 1085.25
• European Community (EC) Number: 685-389-0
• UNII: 44MHH77OIC
• DSSTox Substance ID: DTXSID20474643
• Mol file: 63690-57-3.mol

Synonyms:63690-57-3;Phenoxymethylpenicillin benzathine (JAN);N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;tetrahydrate;PHENOXYMETHYLPENICILLIN BENZATHINE [JAN];DTXSID20474643;penicillin-v benzathine tetrahydrate;D02506;PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE;PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE [EP MONOGRAPH];2113728-41-7;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, (2S,5R,6R)-, compd. with N1,N2-bis(phenylmethyl)-1,2-ethanediamine, hydrate (2:1:4);N1,N2-Dibenzylethane-1,2-diamine bis[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate] tetrahydrate

Chemical Property of Phenoxymethylpenicillin benzathine

Chemical Property:

• Boiling Point: 681.4 °C at 760 mmHg
• Flash Point: 365.9 °C
• PSA: 266.54000
• LogP: 5.39960
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 17
• Exact Mass: 1012.39219308
• Heavy Atom Count: 70
• Complexity: 718

Purity/Quality:

98%Min ^*data from raw suppliers

PENICILLIN G BENZATHINE STERILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.O.O.O.O
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.O.O.O.O
• Uses: Antibacterial.