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119265-75-7

119265-75-7 | Benzamide, 2-[3-[(1,1-dimethylpropyl)amino]-2-hydroxypropoxy]-N-1H-indol-4-yl-, ethanedioate (1:?)

CAS No: 119265-75-7 Catalog No: AG000IH5 MDL No:

Product Description

Catalog Number:
AG000IH5
Chemical Name:
Benzamide, 2-[3-[(1,1-dimethylpropyl)amino]-2-hydroxypropoxy]-N-1H-indol-4-yl-, ethanedioate (1:?)
CAS Number:
119265-75-7
Molecular Formula:
C25H31N3O7
Molecular Weight:
485.5295
IUPAC Name:
2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-N-(1H-indol-4-yl)benzamide;oxalic acid
InChI:
InChI=1S/C23H29N3O3.C2H2O4/c1-4-23(2,3)25-14-16(27)15-29-21-11-6-5-8-18(21)22(28)26-20-10-7-9-19-17(20)12-13-24-19;3-1(4)2(5)6/h5-13,16,24-25,27H,4,14-15H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)
InChI Key:
QHXOVYPRDORCOF-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCC(NCC(COc1ccccc1C(=O)Nc1cccc2c1cc[nH]2)O)(C)C

Properties

Complexity:
599  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.216g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
485.537g/mol
Monoisotopic Mass:
485.216g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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