509-80-8
MITRAPHYLLINE
Name
MITRAPHYLLINE
Formula
C21 H24 N2 O4
MolWeight
368.431
1Identification
【Name】
MITRAPHYLLINE
【CAS】
【MDL】
MFCD01861514
【English Synonyms】
【Formula】
C21 H24 N2 O4
【MolWeight】
368.431
【Inchi】
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1
【InChIKey】
InChIKey=JMIAZDVHNCCPDM-DAFCLMLCSA-N
【SMILES】
C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)c5ccccc5NC4=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
MITRAPHYLLINE.cml
Quick Release
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