Chloroprocain Penicillin

CAS No.:7179-55-7
Synonyms: Almecillin Chloroprocaine;Cer-O-Streps;Depo-cer-o-Cillin; 
Properties Computed from Structure:
Molecular Weight 605.14528 [g/mol] 
Molecular Formula C29H37ClN4O6S 
H-Bond Donor 3 
H-Bond Acceptor 8 
Rotatable Bond Count 11 
Tautomer Count 4 
Exact Mass 604.212233 
MonoIsotopic Mass 604.212233 
Topological Polar Surface Area 142 
Heavy Atom Count 41 
Formal Charge 0 
Complexity 790 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 3 
Defined Bond StereoCenter Count 0 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 2 
Descriptors Computed from Structure:
IUPAC Name: 2-diethylaminoethyl 4-amino-2-chlorobenzoate;
3,
3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]
heptane-2-carboxylic acid
Canonical SMILES: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=
C3)C(=O)O)C
InChI: InChI=1/C16H18N2O4S.C13H19ClN2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)
23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12
(11)14/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-6,9H,3-4,7-8,15H2,
1-2H3/f/h17,21H;