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Elobixibat

Molecular FormulaC₃₆H₄₅N₃O₇S₂
Average mass695.888 Da
Monoisotopic mass695.269897 Da
ChemSpider ID8115513

- 1 of 1 defined stereocentres

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Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

439087-18-0 [RN]

865UEK4EJC

A3309

AZD7806

elobixibat [Spanish] [INN]

Elobixibat [INN] [USAN] [Wiki]

élobixibat [French] [INN]

elobixibatum [Latin] [INN]

Glycine, N-[(2R)-2-[[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]amino]-2-phenylacetyl]- [ACD/Index Name]

N-{(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetyl)amino]-2-phenylacetyl}glycin [German] [ACD/IUPAC Name]

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N-{(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetyl)amino]-2-phenylacetyl}glycine [ACD/IUPAC Name]

N-{(2R)-2-[(2-{[3,3-Dibutyl-7-(méthylsulfanyl)-1,1-dioxydo-5-phényl-2,3,4,5-tétrahydro-1,5-benzothiazépin-8-yl]oxy}acétyl)amino]-2-phénylacétyl}glycine [French] [ACD/IUPAC Name]

(R)-2-(2-(2-((3,3-dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-8-yl)oxy)acetamido)-2-phenylacetamido)acetic acid

1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-1'-phenyl-1'-[N'-(carboxymethyl)carbamoyl]methyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ⁶,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl)oxy]acetyl]amino]-2-phenyl-acetyl]amino]acetic acid

2-[[(2R)-2-[[2-[[3,3-dibutyl-1,1-diketo-7-(methylthio)-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl]oxy]acetyl]amino]-2-phenyl-acetyl]amino]acetic acid

2-[[(2R)-2-[[2-[[3,3-dibutyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl]oxy]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]acetic acid

2-[[(2R)-2-[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl)oxy]ethanoylamino]-2-phenyl-ethanoyl]amino]ethanoic acid

élobixibat

elobixibatum

UNII:865UEK4EJC

UNII-865UEK4EJC

элобиксибат [Russian]

إيلوبيكسيبات [Arabic]

依洛昔巴特 [Chinese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9414 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	969.6±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	148.0±3.0 kJ/mol
Flash Point:	540.2±34.3 °C
Index of Refraction:	1.634
Molar Refractivity:	189.1±0.4 cm³
#H bond acceptors:	10
#H bond donors:	3
#Freely Rotating Bonds:	16
#Rule of 5 Violations:	3

ACD/LogP:	7.11
ACD/LogD (pH 5.5):	2.92
ACD/BCF (pH 5.5):	24.74
ACD/KOC (pH 5.5):	67.78
ACD/LogD (pH 7.4):	1.75
ACD/BCF (pH 7.4):	1.66
ACD/KOC (pH 7.4):	4.54
Polar Surface Area:	176 Å²
Polarizability:	75.0±0.5 10^-24cm³
Surface Tension:	64.6±5.0 dyne/cm
Molar Volume:	529.1±5.0 cm³

Click to predict properties on the Chemicalize site

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Elobixibat

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