200,000+ products from a single source!
sales@angenechem.com
210469-30-0 | Thymidine, 2',3'-didehydro-3'-deoxy-α-[[6-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexyl]amino]- (9CI)
CAS No: 210469-30-0 Catalog No: AG002KSM MDL No:
Product Description
Catalog Number:
AG002KSM
Chemical Name:
Thymidine, 2',3'-didehydro-3'-deoxy-α-[[6-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexyl]amino]- (9CI)
CAS Number:
210469-30-0
Molecular Formula:
C36H47N7O5
Molecular Weight:
657.8023
IUPAC Name:
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[[6-[[5-methyl-7-(7-oxo-7-phenylheptyl)imidazo[1,5-b]pyridazin-2-yl]amino]hexylamino]methyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C36H47N7O5/c1-26-30-18-19-32(41-43(30)33(39-26)16-10-3-2-9-15-31(45)27-13-7-6-8-14-27)38-22-12-5-4-11-21-37-23-28-24-42(36(47)40-35(28)46)34-20-17-29(25-44)48-34/h6-8,13-14,17-20,24,29,34,37,44H,2-5,9-12,15-16,21-23,25H2,1H3,(H,38,41)(H,40,46,47)/t29-,34+/m0/s1
InChI Key:
ZPGKIULTPOIEHD-ZBWWXOROSA-N
SMILES:
OC[C@@H]1C=C[C@@H](O1)n1cc(CNCCCCCCNc2ccc3n(n2)c(CCCCCCC(=O)c2ccccc2)nc3C)c(=O)[nH]c1=O
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
657.364g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
657.816g/mol
Monoisotopic Mass:
657.364g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Imidazo[1,5-b]pyridazine-d4T conjugates: synthesis and anti-human immunodeficiency virus evaluation. | Antiviral chemistry & chemotherapy 19980501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.