74991-34-7
THREO IFENPRODIL HEMITARTRATE
Name
THREO IFENPRODIL HEMITARTRATE
Formula
2 C21 H27 N O2 . C4 H6 O6
MolWeight
800.984
1Identification
【Name】
THREO IFENPRODIL HEMITARTRATE
【CAS】
【MDL】
MFCD16621667
【English Synonyms】
【Formula】
2 C21 H27 N O2 . C4 H6 O6
【MolWeight】
800.984
【Inchi】
InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*16-,21+;1-,2-/m000/s1
【InChIKey】
InChIKey=DMPRDSPPYMZQBT-YGBWVROSSA-N
【SMILES】
C[C@@H]([C@H](c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3.C[C@@H]([C@H](c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
THREO IFENPRODIL HEMITARTRATE.cml
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