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1801747-11-4 | 2-Pyrazinamine, 6-(4-amino-4-methyl-1-piperidinyl)-3-(2,3-dichlorophenyl)-, hydrochloride (1:?)
CAS No: 1801747-11-4 Catalog No: AG0021R1 MDL No:
Product Description
Catalog Number:
AG0021R1
Chemical Name:
2-Pyrazinamine, 6-(4-amino-4-methyl-1-piperidinyl)-3-(2,3-dichlorophenyl)-, hydrochloride (1:?)
CAS Number:
1801747-11-4
Molecular Formula:
C16H20Cl3N5
Molecular Weight:
388.7225
IUPAC Name:
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine;hydrochloride
InChI:
InChI=1S/C16H19Cl2N5.ClH/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18;/h2-4,9H,5-8,20H2,1H3,(H2,19,22);1H
InChI Key:
KHQHYRFUYAXWOQ-UHFFFAOYSA-N
SMILES:
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.721g/mol
Monoisotopic Mass:
387.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A new variant of glucosephosphate isomerase deficiency. | Humangenetik 19751020 |
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