126054-44-2
ETHANAMINIUM, 2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE
NameETHANAMINIUM, 2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE
FormulaC27 H46 N3 O2 . Cl
1Identification
【Name】
ETHANAMINIUM, 2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE
【CAS】
【MDL】
MFCD01728972
【English Synonyms】
【Formula】
C27 H46 N3 O2 . Cl
【MolWeight】
480.132
【Inchi】
InChI=1S/C27H46N3O2.ClH/c1-26-13-11-20(32-25(31)18-30(4,5)6)17-19(26)7-8-21-22-9-10-24(29(3)16-15-28)27(22,2)14-12-23(21)26;/h19-24H,7-14,16-18H2,1-6H3;1H/q+1;/p-1/t19-,20-,21-,22-,23-,24-,26-,27-;/m0./s1
【InChIKey】
InChIKey=PWDNSFYKBRGRQH-ZULPSGRVSA-M
【SMILES】
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4N(C)CC#N)C)OC(=O)C[N+](C)(C)C.[Cl-]
【MOL File】
ETHANAMINIUM, 2-(((3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANAMINIUM, 2-(((3-BETA,5-ALPHA,17-BETA)-17-((CYANOMETHYL)METHYLAMIN O)ANDROSTAN-3-YL)OXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE.cml