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Home >> Chemical Listing >> Page 770 >> 1-{4-Benzyl-2-Hydroxy-5-[(2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl)Amino]-5-Oxopentyl}-N-(2-Methyl-2-Propanyl)-4-[(2H4)-3-Pyridinyl(2H2)Methyl]-2-Piperazinecarboxamide

1-{4-Benzyl-2-Hydroxy-5-[(2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl)Amino]-5-Oxopentyl}-N-(2-Methyl-2-Propanyl)-4-[(2H4)-3-Pyridinyl(2H2)Methyl]-2-Piperazinecarboxamide
[CAS# 185897-02-3]

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Identification
Name 1-{4-Benzyl-2-Hydroxy-5-[(2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl)Amino]-5-Oxopentyl}-N-(2-Methyl-2-Propanyl)-4-[(2H4)-3-Pyridinyl(2H2)Methyl]-2-Piperazinecarboxamide
Synonyms 1-{4-Benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)methyl]-2-piperazincarboxamid (non-preferred name); 1-{4-Benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)methyl]-2-piperazinecarboxamide (non-preferred name); 1-{4-Benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-indén-1-yl)amino]-5-oxopentyl}-N-(2-méthyl-2-propanyl)-4-[(2H4)-3-pyridinyl(2H2)méthyl]-2-pipérazinecarboxamide (non-preferred name)
Molecular Structure CAS#: 185897-02-3, 1-{4-Benzyl-2-Hydroxy-5-[(2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl)Amino]-5-Oxopentyl}-N-(2-Methyl-2-Propanyl)-4-[(<Sup>2</Sup>H<Sub>4</Sub>)-3-Pyridinyl(<Sup>2</Sup>H<Sub>2</Sub>)Methyl]-2-Piperazinecarboxamide
Molecular Formula C36H41D6N5O4
Molecular Weight 619.83
CAS Registry Number 185897-02-3
SMILES [2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])N2CCN(C(C2)C(=O)NC(C)(C)C)CC(CC(Cc3ccccc3)C(=O)NC4c5ccccc5CC4O)O)[2H]
InChI 1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/i9D,12D,15D,21D,22D2
InChIKey CBVCZFGXHXORBI-QUQBIUQOSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 877.9±65.0°C at 760 mmHg (Cal.)
Flash point 484.7±34.3°C (Cal.)
Refractive index 1.636 (Cal.)
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