72830-39-8
OXMETIDINE
Name
OXMETIDINE
Formula
C19 H21 N5 O3 S
MolWeight
399.473
1Identification
【Name】
OXMETIDINE
【CAS】
【MDL】
MFCD00867513
【English Synonyms】
【Formula】
C19 H21 N5 O3 S
【MolWeight】
399.473
【Inchi】
InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)
【InChIKey】
InChIKey=YTBDPHYVGACIPC-UHFFFAOYSA-N
【SMILES】
Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccc4c(c3)OCO4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OXMETIDINE.cml
Quick Release
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