115729-52-7

Name Enalapril diketopiperazine
CAS 115729-52-7
Molecular Formula C20H26N2O4
MDL Number MFCD24386666
Molecular Weight 358.43
MOL File 115729-52-7.mol

Chemical Properties

Melting point  93-94°C
Boiling point  562.9±50.0 °C(Predicted)
density  1.22±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
pka -1.07±0.40(Predicted)
color  White to Off-White
Major Application pharmaceutical
pharmaceutical small molecule
InChI 1S/C20H26N2O4/c1-3-26-20(25)17(12-11-15-8-5-4-6-9-15)22-14(2)18(23)21-13-7-10-16(21)19(22)24/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3/t14-,16-,17-/m0/s1
InChIKey BMZHNHHJUGMMLV-XIRDDKMYSA-N
SMILES N21[C@@H](CCC2)C(=O)N([C@H](C1=O)C)[C@@H](CCc3ccccc3)C(=O)OCC

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
Signal word  Warning
Hazard statements  H361-H335-H319-H315
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier