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214212-38-1

214212-38-1 | ETHANONE, 2-(2,4-DI-1-PYRROLIDINYL-9H-PYRIMIDO[4,5-B]INDOL-9-YL)-1-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)

CAS No: 214212-38-1 Catalog No: AG007QKK MDL No:

Product Description

Catalog Number:
AG007QKK
Chemical Name:
ETHANONE, 2-(2,4-DI-1-PYRROLIDINYL-9H-PYRIMIDO[4,5-B]INDOL-9-YL)-1-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)
CAS Number:
214212-38-1
Molecular Formula:
C24H31ClN6O
Molecular Weight:
454.9955
IUPAC Name:
2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
InChI:
InChI=1S/C24H30N6O.ClH/c31-20(27-11-3-4-12-27)17-30-19-10-2-1-9-18(19)21-22(28-13-5-6-14-28)25-24(26-23(21)30)29-15-7-8-16-29;/h1-2,9-10H,3-8,11-17H2;1H
InChI Key:
RLFYAIUQWFELJD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Cn1c2ccccc2c2c1nc(nc2N1CCCC1)N1CCCC1.Cl
UNII:
2F31SC4LR5

Properties

Complexity:
642  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.225g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
455.003g/mol
Monoisotopic Mass:
454.225g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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