Home Other Building Blocks 2-HYDROXY DESIPRAMINE GLUCURONIDE HCL

2-HYDROXY DESIPRAMINE GLUCURONIDE HCL

CAS No.:
25521-31-7
Catalog Number:
AG00C2Q4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C2Q4
Chemical Name:
2-HYDROXY DESIPRAMINE GLUCURONIDE HCL
CAS Number:
25521-31-7
MDL Number:
MFCD09259970
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]oxy]oxane-2-carboxylic acid
InChI:
InChI=1S/C24H30N2O7/c1-25-11-4-12-26-17-6-3-2-5-14(17)7-8-15-13-16(9-10-18(15)26)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h2-3,5-6,9-10,13,19-22,24-25,27-29H,4,7-8,11-12H2,1H3,(H,30,31)/t19-,20-,21+,22-,24+/m0/s1
InChI Key:
XJHAOJJEVSPMBA-QMDPOKHVSA-N
Properties
Complexity:
652  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
458.205g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
458.511g/mol
Monoisotopic Mass:
458.205g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties