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Also known as: 439087-18-0, Azd7806, Azd-7806, 865uek4ejc, A-3309, Glycine, (2r)-n-(2-((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl)oxy)acetyl)-2-phenylglycyl-

Molecular Formula

C₃₆H₄₅N₃O₇S₂

Molecular Weight

695.9 g/mol

InChI Key

XFLQIRAKKLNXRQ-UUWRZZSWSA-N

FDA UNII

865UEK4EJC

Elobixibat has been used in trials studying the treatment and basic science of Dyslipidemia, Constipation, Chronic Constipation, Functional Constipation, and Chronic Idiopathic Constipation.

1 2D Structure

Elobixibat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-16,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

2.1.3 InChI Key

XFLQIRAKKLNXRQ-UUWRZZSWSA-N

2.1.4 Canonical SMILES

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC

2.1.5 Isomeric SMILES

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC

2.2 Other Identifiers

2.2.1 UNII

865UEK4EJC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. A3309

2.3.2 Depositor-Supplied Synonyms

1. 439087-18-0

2. Azd7806

3. Azd-7806

4. 865uek4ejc

5. A-3309

6. Glycine, (2r)-n-(2-((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl)oxy)acetyl)-2-phenylglycyl-

7. Goofice

8. (r)-(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-phenylacetyl)glycine

9. 2-[[(2r)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic Acid

10. Elobixibat [inn]

11. Azd 7806

12. Elobixibat [usan:inn]

13. Unii-865uek4ejc

14. Ajg533

15. Elobixibat [mi]

16. Elobixibat (usan/inn)

17. Elobixibat [usan]

18. A 3309

19. Elobixibat [who-dd]

20. Gtpl9996

21. Schembl1183501

22. Chembl3039515

23. Bdbm77088

24. Dtxsid00195985

25. Ex-a5983

26. Db12486

27. Hy-15790

28. Cs-0009139

29. J3.548.450g

30. D10796

31. Us9694018, 14

32. Q5367035

33. ((2r)-2-(2-((3,3-dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1h-1.lambda.6,5-benzothiazepin-8-yl)oxy)acetamido)-2-phenylacetamido)acetic Acid

34. 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

35. Glycine, (2r)-n-(((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl)oxy)acetyl)-2-phenylglycyl-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₄₅N₃O₇S₂
Molecular Weight	695.9 g/mol
XLogP3	7.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Exact Mass	695.26989313 g/mol
Monoisotopic Mass	695.26989313 g/mol
Topological Polar Surface Area	176 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1140
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of chronic constipation

API SUPPLIERS

01

Metrochem API Private Limited

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

CPHI Middle east

Not Confirmed

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

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CEP/COS JDMF EU-WC NDC

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02

Viruj Pharmaceuticals Pvt Ltd

India

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CPHI Middle east

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03

Ceyone Life Sciences

India

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API Reference Price

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","customerCountry":"JAPAN","quantity":"54.00","actualQuantity":"54","unit":"KGS","unitRateFc":"4477.9","totalValueFC":"238837.7","currency":"USD","unitRateINR":323975.98148148146,"date":"28-May-2021","totalValueINR":"17494703","totalValueInUsd":"238837.7","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"4002572","productDescription":"API","marketType":"REGULATED MARKET","country":"JAPAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Biocon-SEZ","supplierAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3, ","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1658255400,"product":"ELOBIXIBAT MONOHYDRATE","address":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3","city":"","supplier":"SYNGENE INTERNATIONAL LIMITED","supplierCountry":"INDIA","foreign_port":"NARITA APT\/TOKYO","customer":"EA PHARMA","customerCountry":"JAPAN","quantity":"104.00","actualQuantity":"104","unit":"KGS","unitRateFc":"4710.3","totalValueFC":"481764.2","currency":"USD","unitRateINR":368348.31730769231,"date":"20-Jul-2022","totalValueINR":"38308225","totalValueInUsd":"481764.2","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"4003594","productDescription":"API","marketType":"REGULATED MARKET","country":"JAPAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Biocon-SEZ","supplierAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3, ","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1661106600,"product":"ELOBIXIBAT HYDRATE","address":"7-1-638 TO 643, 643\/1,FLAT NO. 302 ,,BHANU ENCLAVE, ERRAGADDA","city":"HYDERABAD,TELANGANA","supplier":"METROCHEM API PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"CAIRO","customer":"ALESRAA PHARMACEUTICAL OPTIMA","customerCountry":"EGYPT","quantity":"0.10","actualQuantity":"0.1","unit":"KGS","unitRateFc":"40000","totalValueFC":"3933.8","currency":"USD","unitRateINR":3130000,"date":"22-Aug-2022","totalValueINR":"313000","totalValueInUsd":"3933.8","indian_port":"HYDERABAD AIR","hs_no":"29339990","bill_no":"3645984","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"EGYPT","selfForZScoreResived":"Pharma Grade","supplierPort":"HYDERABAD AIR","supplierAddress":"7-1-638 TO 643, 643\/1,FLAT NO. 302 ,,BHANU ENCLAVE, ERRAGADDA, HYDERABAD,TELANGANA","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q1","strtotime":1707762600,"product":"ELOBIXIBAT HYDRATE IHS PHARMACEUTICAL RAW MATERIALS METROCHEM BATCH NO: PD\/BAT-P\/24002","address":"FLAT NO.302, BHANU ENCLAVE","city":"HYDERABAD.AP","supplier":"METROCHEM API PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"KARACHI -","customer":"JS BANK LIMITED","customerCountry":"PAKISTAN","quantity":"0.16","actualQuantity":"0.164","unit":"KGS","unitRateFc":"30000","totalValueFC":"4766","currency":"USD","unitRateINR":2411274.3902439023,"date":"13-Feb-2024","totalValueINR":"395449","totalValueInUsd":"4766","indian_port":"Hyderabad Air","hs_no":"29339990","bill_no":"7494112","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"PAKISTAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Hyderabad Air","supplierAddress":"FLAT NO.302, BHANU ENCLAVE, HYDERABAD.AP","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1716748200,"product":"ELOBIXIBAT MONOHYDRATE","address":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3","city":"","supplier":"SYNGENE INTERNATIONAL LIMITED","supplierCountry":"INDIA","foreign_port":"FUKUSHIMA","customer":"EA PHARMA CO. ","customerCountry":"JAPAN","quantity":"53.00","actualQuantity":"53","unit":"KGS","unitRateFc":"6082.1","totalValueFC":"319626.9","currency":"USD","unitRateINR":502683.71698113205,"date":"27-May-2024","totalValueINR":"26642237","totalValueInUsd":"319626.9","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"4002602","productDescription":"API","marketType":"REGULATED MARKET","country":"JAPAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Biocon-SEZ","supplierAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3, ","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1724783400,"product":"FINE ORGANIC COMPOUNDSELOBIXIBAT MONOHYDRATE","address":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3","city":"N\/A","supplier":"SYNGENE INTERNATIONAL LIMITED","supplierCountry":"INDIA","foreign_port":"TOKYO","customer":"EA PHARMA CO ","customerCountry":"JAPAN","quantity":"156.48","actualQuantity":"156.48","unit":"KGS","unitRateFc":"6126","totalValueFC":"949699","currency":"USD","unitRateINR":509070.60001278116,"date":"28-Aug-2024","totalValueINR":"79659367.49","totalValueInUsd":"949699","indian_port":"Biocon-SEZ","hs_no":"29420090","bill_no":"3536516","productDescription":"API","marketType":"REGULATED MARKET","country":"JAPAN","selfForZScoreResived":"Pharma Grade","supplierPort":"Biocon-SEZ","supplierAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3, N\/A","customerAddress":""}]

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