74063-39-1
3-MORPHOLYLAETHYL-DIHYDRO-MORPHIN (BIS-HYDROGENTARTRAT) [GERMAN]
Name3-MORPHOLYLAETHYL-DIHYDRO-MORPHIN (BIS-HYDROGENTARTRAT) [GERMAN]
FormulaC23 H32 N2 O4 . 2 C4 H6 O6
1Identification
【Name】
3-MORPHOLYLAETHYL-DIHYDRO-MORPHIN (BIS-HYDROGENTARTRAT) [GERMAN]
【CAS】
【MDL】
MFCD01714450
【English Synonyms】
【Formula】
C23 H32 N2 O4 . 2 C4 H6 O6
【MolWeight】
700.687
【Inchi】
InChI=1S/C23H32N2O4.2C4H6O6/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25;2*5-1(3(7)8)2(6)4(9)10/h2,5,16-18,22,26H,3-4,6-14H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t16-,17+,18-,22-,23-;;/m0../s1
【InChIKey】
InChIKey=JGARUPJPIFMHAX-GLIKYNQJSA-N
【SMILES】
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@H]1C5)O)OCCN6CCOCC6.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
【MOL File】
3-MORPHOLYLAETHYL-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-MORPHOLYLAETHYL-DIHYDRO-MORPHIN (BIS-HYDROGENTARTRAT) [GERMAN].cml