54063-47-7
GEMAZOCINE
Name
GEMAZOCINE
Formula
C20 H29 N O
MolWeight
299.455
1Identification
【Name】
GEMAZOCINE
【CAS】
【MDL】
MFCD00869040
【English Synonyms】
【Formula】
C20 H29 N O
【MolWeight】
299.455
【Inchi】
InChI=1S/C20H29NO/c1-4-20-9-10-21(13-14-5-6-14)18(19(20,2)3)11-15-7-8-16(22)12-17(15)20/h7-8,12,14,18,22H,4-6,9-11,13H2,1-3H3
【InChIKey】
InChIKey=AFZOCGNTFCGOEE-UHFFFAOYSA-N
【SMILES】
CCC12CCN(C(C1(C)C)Cc3c2cc(cc3)O)CC4CC4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GEMAZOCINE.cml
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