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101607-41-4 | 2,8-Diazaspiro[4.5]decane-1,3-dione, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1)
CAS No: 101607-41-4 Catalog No: AG0004YI MDL No:
Product Description
Catalog Number:
AG0004YI
Chemical Name:
2,8-Diazaspiro[4.5]decane-1,3-dione, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1)
CAS Number:
101607-41-4
Molecular Formula:
C23H32ClN3O4
Molecular Weight:
449.9709
IUPAC Name:
2-(azepan-1-yl)-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-1,3-dione;hydrochloride
InChI:
InChI=1S/C23H31N3O4.ClH/c27-21-15-23(22(28)26(21)25-11-5-1-2-6-12-25)9-13-24(14-10-23)16-18-17-29-19-7-3-4-8-20(19)30-18;/h3-4,7-8,18H,1-2,5-6,9-17H2;1H
InChI Key:
WYAQPYBCAYDWTH-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=O)N1N1CCCCCC1)CCN(CC2)CC1COc2c(O1)cccc2.Cl
NSC Number:
665778
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.208g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.976g/mol
Monoisotopic Mass:
449.208g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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