651324-08-2
(3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID ETHYL ESTER MONOHYDROCHLORIDE
Name(3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID ETHYL ESTER MONOHYDROCHLORIDE
FormulaC26 H44 N2 O4 . Cl H
1Identification
【Name】
(3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID ETHYL ESTER MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD09032929
【English Synonyms】
【Formula】
C26 H44 N2 O4 . Cl H
【MolWeight】
485.104
【Inchi】
InChI=1S/C26H44N2O4.ClH/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9;/h10-11,18,21-24H,1-2,12-17H2,3-9H3;1H/t22-,23+,24+;/m0./s1
【InChIKey】
InChIKey=PUBKCMTVXFIUCX-BAUONJEJSA-N
【SMILES】
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N(C(=O)C)C(C)(C)C)N(CC=C)CC=C)C(=O)OCC.Cl
【MOL File】
(3R,4R,5S)-4-N-ACETY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID ETHYL ESTER MONOHYDROCHLORIDE.cml