186392-40-5

Name CP 91149
CAS 186392-40-5
Molecular Formula C21H21ClN3O3
MDL Number MFCD00954145
Molecular Weight 398.863
MOL File 186392-40-5.mol

Chemical Properties

Melting point  190-192°C
storage temp.  2-8°C
solubility  DMSO: >20mg/mL
form  powder
color  white to off-white
Stability: Hygroscopic
InChI 1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
InChIKey HINJNZFCMLSBCI-PKOBYXMFSA-N
SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c2cc3cc(Cl)ccc3[nH]2

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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