Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM016851)
DM Name
3-Hydroxy-1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
Synonyms NULL
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 1876.3 Topological Polar Surface Area 496
Heavy Atom Count 135 Rotatable Bond Count 26
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 39
PubChem CID
158135370
Complexity
2390
Formula
C92H142N30O13
Canonical SMILES
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C.CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=C(C=N3)O)C.CC1(CC(=O)N(C(=O)C1O)CCCCN2CCN(CC2)C3=NC=CC=N3)C.CC1(CC(=O)N(C(=O)C1O)CCCCN2CCN(CC2)C3=NC=C(C=N3)O)C.C1CN(CCN1C2=NC=CC=N2)N.C1CN(CCN1C2=NC=C(C=N2)O)N
InChI
InChI=1S/C19H29N5O4.2C19H29N5O3.C19H29N5O2.C8H13N5O.C8H13N5/c1-19(2)11-15(26)24(17(28)16(19)27)6-4-3-5-22-7-9-23(10-8-22)18-20-12-14(25)13-21-18;1-19(2)14-15(25)24(17(27)16(19)26)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18;1-19(2)11-16(26)24(17(27)12-19)6-4-3-5-22-7-9-23(10-8-22)18-20-13-15(25)14-21-18;1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18;9-13-3-1-12(2-4-13)8-10-5-7(14)6-11-8;9-13-6-4-12(5-7-13)8-10-2-1-3-11-8/h12-13,16,25,27H,3-11H2,1-2H3;5-7,16,26H,3-4,8-14H2,1-2H3;13-14,25H,3-12H2,1-2H3;5-7H,3-4,8-15H2,1-2H3;5-6,14H,1-4,9H2;1-3H,4-7,9H2
InChIKey
FTGYCCJEMIBIRC-UHFFFAOYSA-N
IUPAC name
2-(4-aminopiperazin-1-yl)pyrimidin-5-ol;4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;3-hydroxy-4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;3-hydroxy-1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione;1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione;4-pyrimidin-2-ylpiperazin-1-amine
Full List of Drug(s) That Produce This DM By Metabolism
Gepirone DR3227 Phase 2 Depression

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