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120964-45-6 | (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride
CAS No: 120964-45-6 Catalog No: AG003BAV MDL No:MFCD18782644
Product Description
Catalog Number:
AG003BAV
Chemical Name:
(-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride
CAS Number:
120964-45-6
Molecular Formula:
C12H15ClN4O3
Molecular Weight:
298.7255
MDL Number:
MFCD18782644
IUPAC Name:
(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
InChI:
InChI=1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
InChI Key:
UNSKMHKAFPRFTI-FDKLLANESA-N
SMILES:
Nc1nccc2c1ncn2C1C=C(C(C1O)O)CO.Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
298.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
298.727g/mol
Monoisotopic Mass:
298.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| [Role of adrenergic mechanisms in origin of arrhythmias following administration of tricyclic antidepressive agents]. | Deutsche medizinische Wochenschrift (1946) 19760116 |
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