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Chemistry

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Also known as: Nurtec odt, Rimegepant sulfate [usan], 1374024-48-2, 1383nm3q0h, Rimegepant sulfate (usan), 1-piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1h-imidazo(4,5-b)pyridin-1-yl)-, (5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl ester, sulfate, hydrate (2:1:3)
Molecular Formula
C56H64F4N12O13S
Molecular Weight
1221.2  g/mol
InChI Key
SOGUOEZRYKUOHR-CQZKMDJHSA-N
FDA UNII
1383NM3Q0H

Rimegepant Sulfate
1 2D Structure

Rimegepant Sulfate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;sulfuric acid;trihydrate
2.1.2 InChI
InChI=1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18-,22+,24-;;;;/m00..../s1
2.1.3 InChI Key
SOGUOEZRYKUOHR-CQZKMDJHSA-N
2.1.4 Canonical SMILES
C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.O.O.O.OS(=O)(=O)O
2.1.5 Isomeric SMILES
C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.O.O.O.OS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
1383NM3Q0H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1h-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate

2. Bms-927711

3. Nurtec Odt

4. Rimegepant

2.3.2 Depositor-Supplied Synonyms

1. Nurtec Odt

2. Rimegepant Sulfate [usan]

3. 1374024-48-2

4. 1383nm3q0h

5. Rimegepant Sulfate (usan)

6. 1-piperidinecarboxylic Acid, 4-(2,3-dihydro-2-oxo-1h-imidazo(4,5-b)pyridin-1-yl)-, (5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl Ester, Sulfate, Hydrate (2:1:3)

7. Di((5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1h-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate), Monosulfate, Trihydrate

8. Unii-1383nm3q0h

9. Nurtec Odt (tn)

10. Rimegepant Sulfate Dihydrate

11. Chembl2364629

12. Dtxsid60160174

13. Rimegepant Sulfate [who-dd]

14. Rimegepant Sulfate [orange Book]

15. Rimegepant Hemisulfate Sesquihydrate

16. D10663

17. Rimegepant Hemisulfate Sesquihydrate [mi]

18. Q27251488

2.4 Create Date
2013-07-08
3 Chemical and Physical Properties
Molecular Weight 1221.2 g/mol
Molecular Formula C56H64F4N12O13S
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count23
Rotatable Bond Count8
Exact Mass1220.43726396 g/mol
Monoisotopic Mass1220.43726396 g/mol
Topological Polar Surface Area313 Ų
Heavy Atom Count86
Formal Charge0
Complexity973
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count6
4 Pharmacology and Biochemistry
4.1 FDA Pharmacological Classification
4.1.1 Pharmacological Classes
Calcitonin Gene-related Peptide Receptor Antagonists [MoA]; Calcitonin Gene-related Peptide Receptor Antagonist [EPC]

API SUPPLIERS

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Moehs Iberica

Spain

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Metrochem API Private Limited

India

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

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Jinan Tantu Chemicals

China

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Medichem S.A

Spain

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Virtual BoothMedichem is a vertically integrated pharmaceutical company specializing in the development & manufacturing of APIs & FDFs.

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Porton Pharma Solutions

China

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Aurobindo Pharma Limited

India

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Aurobindo Pharma Limited

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Teva Pharmaceutical Industries

Israel

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Teva Pharmaceutical Industries

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MSN Laboratories

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MSN Laboratories

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Changzhou Pharmaceutical Factory

China

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Siegfried AG

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API Reference Price

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DA2 6QY SDNF United Kingdom","customerAddress":"101, SAPTAGIRI RESIDENCY,1-10-98\/A, CHIKOTI GARDENS, BEGUMPET,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1729276200,"product":"RIMEGEPANT SULFATE CAS NO 1374024-48-2","address":"NIKITA BAUNGLOW, NEAR PRAGATI","city":"GUJARAT","supplier":"BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD","supplierCountry":"CHINA","foreign_port":"BEIJING","customer":"APOTHECON PHARMACEUTICALS","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"0.1","unit":"KGS","unitRateFc":"17000","totalValueFC":"1738","currency":"USD","unitRateINR":"1460396.7","date":"19-Oct-2024","totalValueINR":"146039.67","totalValueInUsd":"1738","indian_port":"Bombay Air","hs_no":"29339990","bill_no":"6217570","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"FLOOR 8, BUILDING 1, NO.35, JINGHAI FOUR ROAD, ECONOMIC AND TECHNOLOGI CAL DEVELOPMENT ZONE, BEIJING, CHIN CHINA","customerAddress":"NIKITA BAUNGLOW, NEAR PRAGATI"}]
16-Nov-2022
30-Oct-2024
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