phenyracillin

Product Name: Phenyracillin [INN:DCF]
CAS Registry Number: 7009-88-3 
Synonyms: Alfadryl ; EINECS 230-290-6 ; Feniracilina ; Feniracilina [INN-Spanish] ; Feniracillina ; Feniracillina [DCIT] ; Penicillinate de 2,5-diphenyl piperazine ; Penicillinate de 2,5-diphenyl piperazine [French] ; Penirazine ; Phenyracillin ; Phenyracilline ; Phenyracilline [French] ; Phenyracilline [INN-French] ; Phenyracillinum ; Phenyracillinum [INN-Latin] ; UNII-3V721R4XYY ; 2,5-Diphenylpiperazine salt of benzylpenicillin ; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-, compd. with 2,5-diphenylpiperazine (2:1) 
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine 
Molecular Weight: 907.10776 [g/mol]
Molecular Formula: C₄₈H₅₄N₆O₈S₂
H-Bond Donor: 6
H-Bond Acceptor: 10
Flash Point: 355 °C
Enthalpy of Vaporization: 102.51 kJ/mol
Boiling Point: 663.3 °C at 760 mmHg
Vapour Pressure: 1.69E-18 mmHg at 25°C
Following is the molecular structure of Phenyracillin [INN:DCF] (CAS NO.7009-88-3) is:

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

Descriptors computed from structure, you can know some information about Phenyracillin [INN:DCF] (CAS NO.7009-88-3) :
Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=
C2)C3=CC=CC=C3
InChI: InChI=1S/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1
InChIKey: IAKOCPCZBRUQBM-ANPZCEIESA-N