54592-27-7
DIVABUTEROL
Name
DIVABUTEROL
Formula
C22 H35 N O5
MolWeight
393.521
1Identification
【Name】
DIVABUTEROL
【CAS】
【MDL】
MFCD00868344
【English Synonyms】
【Formula】
C22 H35 N O5
【MolWeight】
393.521
【Inchi】
InChI=1S/C22H35NO5/c1-20(2,3)18(25)27-15-10-14(17(24)13-23-22(7,8)9)11-16(12-15)28-19(26)21(4,5)6/h10-12,17,23-24H,13H2,1-9H3
【InChIKey】
InChIKey=VJJOKWOJJZKXNV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)Oc1cc(cc(c1)OC(=O)C(C)(C)C)C(CNC(C)(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIVABUTEROL.cml
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