57464-31-0
TRANS-N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)VERATRIMIDIC ACID
NameTRANS-N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)VERATRIMIDIC ACID
1Identification
【Name】
TRANS-N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)VERATRIMIDIC ACID
【CAS】
【MDL】
MFCD01675320
【English Synonyms】
【Formula】
C19 H28 N2 O3
【MolWeight】
332.441
【Inchi】
InChI=1S/C19H28N2O3/c1-21-9-8-13-10-16(6-4-15(13)12-21)20-19(22)14-5-7-17(23-2)18(11-14)24-3/h5,7,11,13,15-16H,4,6,8-10,12H2,1-3H3,(H,20,22)/t13-,15+,16?/m1/s1
【InChIKey】
InChIKey=LHTCJVXGLPKNGY-YISXUXMPSA-N
【SMILES】
CN1CC[C@@H]2CC(CC[C@H]2C1)NC(=O)c3ccc(c(c3)OC)OC
【MOL File】
TRANS-N-(DECAHYDRO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-N-(DECAHYDRO-2-METHYLISOQUINOLIN-6-YL)VERATRIMIDIC ACID.cml