54190-76-0
2-HYDROXY IMIPRAMINE BETA-D-GLUCURONIDE
Name
2-HYDROXY IMIPRAMINE BETA-D-GLUCURONIDE
Formula
C25 H32 N2 O7
MolWeight
472.535
1Identification
【Name】
2-HYDROXY IMIPRAMINE BETA-D-GLUCURONIDE
【CAS】
【MDL】
MFCD12031537
【English Synonyms】
【Formula】
C25 H32 N2 O7
【MolWeight】
472.535
【Inchi】
InChI=1S/C25H32N2O7/c1-26(2)12-5-13-27-18-7-4-3-6-15(18)8-9-16-14-17(10-11-19(16)27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h3-4,6-7,10-11,14,20-23,25,28-30H,5,8-9,12-13H2,1-2H3,(H,31,32)/t20-,21-,22+,23-,25?/m0/s1
【InChIKey】
InChIKey=CBEJFHYWZSCYSD-UKZGQZPXSA-N
【SMILES】
CN(C)CCCN1c2ccccc2CCc3c1ccc(c3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY IMIPRAMINE BETA-D-GLUCURONIDE.cml
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