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Chemistry

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Also known as: Ergoloid mesilates, Co-dergocrine mesylate, Dihydroergotoxine mesilate, Dihydrogenated ergot alkaloids, Chembl2311030, Dihydroergotoxine methanesulfonate
Molecular Formula
C134H184N20O32S4
Molecular Weight
2715.3  g/mol
InChI Key
PBKVEOSEPXMKDN-LZHUFOCISA-N

Co-Dergocrine Mesilate
A mixture of three different hydrogenated derivatives of ERGOTAMINE: DIHYDROERGOCORNINE; DIHYDROERGOCRISTINE; and DIHYDROERGOCRYPTINE. Dihydroergotoxine has been proposed to be a neuroprotective agent and a nootropic agent. The mechanism of its therapeutic actions is not clear, but it can act as an alpha-adrenergic antagonist and a dopamine agonist. The methanesulfonate salts of this mixture of alkaloids are called ERGOLOID MESYLATES.
1 2D Structure

Co-Dergocrine Mesilate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
2.1.2 InChI
InChI=1S/C35H41N5O5.2C32H43N5O5.C31H41N5O5.4CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;4*1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);4*1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;20-,22-,24-,25+,26+,31-,32+;18?,20-,22-,24-,25+,27+,31-,32+;19-,21-,23-,24+,26+,30-,31+;;;;/m1111..../s1
2.1.3 InChI Key
PBKVEOSEPXMKDN-LZHUFOCISA-N
2.1.4 Canonical SMILES
CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
2.1.5 Isomeric SMILES
CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Alkaloids, Hydrogenated Ergot

2. Co-dergocrine

3. Dihydroergotoxin

4. Dihydroergotoxine

5. Ergot Alkaloids, Hydrogenated

6. Circanol

7. Co Dergine Mesylate

8. Co Dergocrine Mesilate

9. Co Dergocrine Mesylate

10. Co-dergine Mesylate

11. Co-dergocrine Mesilate

12. Co-dergocrine Mesylate

13. Dihydroergotoxine Mesylate

14. Dihydroergotoxine Methanesulfonate

15. Dihydroergotoxine Monomethanesulfonate

16. Ergodesit

17. Ergoloid Mesylate

18. Ergoloid Mesylates

19. Ergotoxin, Dihydro-, Monomethasulfonate

20. Hydergine

21. Methanesulfonate, Dihydroergotoxine

22. Monomethanesulfonate, Dihydroergotoxine

23. Redergam

24. Redergin

25. Redergine

2.2.2 Depositor-Supplied Synonyms

1. Ergoloid Mesilates

2. Co-dergocrine Mesylate

3. Dihydroergotoxine Mesilate

4. Dihydrogenated Ergot Alkaloids

5. Chembl2311030

6. Dihydroergotoxine Methanesulfonate

2.3 Create Date
2013-09-23
3 Chemical and Physical Properties
Molecular Weight 2715.3 g/mol
Molecular Formula C134H184N20O32S4
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count36
Rotatable Bond Count19
Exact Mass2714.2301933 g/mol
Monoisotopic Mass2713.2268385 g/mol
Topological Polar Surface Area724 Ų
Heavy Atom Count190
Formal Charge0
Complexity4690
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count8
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameErgoloid mesylates
PubMed HealthErgoloid Mesylates (By mouth)
Drug ClassesAntimigraine
Drug LabelEach tablet for oral use contains ergoloid mesylates USP; a mixture of the methanesulfonate salt of the following hydrogenated alkaloids:RDihydroergocornine-CH(CH ) 32Dihydroergocristine-CH C H 265Dihydro--ergocryptine-CH CH(CH ) 232Dihydro--ergo...
Active IngredientErgoloid mesylates
Dosage FormTablet
RouteOral
Strength1mg
Market StatusPrescription
CompanyMutual Pharm

2 of 2  
Drug NameErgoloid mesylates
PubMed HealthErgoloid Mesylates (By mouth)
Drug ClassesAntimigraine
Drug LabelEach tablet for oral use contains ergoloid mesylates USP; a mixture of the methanesulfonate salt of the following hydrogenated alkaloids:RDihydroergocornine-CH(CH ) 32Dihydroergocristine-CH C H 265Dihydro--ergocryptine-CH CH(CH ) 232Dihydro--ergo...
Active IngredientErgoloid mesylates
Dosage FormTablet
RouteOral
Strength1mg
Market StatusPrescription
CompanyMutual Pharm

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Adrenergic alpha-Antagonists

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)


Dopamine Agonists

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)


Nootropic Agents

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)


Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)


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ABOUT THIS PAGE

Co-Dergocrine Mesilate Manufacturers

A Co-Dergocrine Mesilate manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Co-Dergocrine Mesilate, including repackagers and relabelers. The FDA regulates Co-Dergocrine Mesilate manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Co-Dergocrine Mesilate API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Co-Dergocrine Mesilate Suppliers

A Co-Dergocrine Mesilate supplier is an individual or a company that provides Co-Dergocrine Mesilate active pharmaceutical ingredient (API) or Co-Dergocrine Mesilate finished formulations upon request. The Co-Dergocrine Mesilate suppliers may include Co-Dergocrine Mesilate API manufacturers, exporters, distributors and traders.

click here to find a list of Co-Dergocrine Mesilate suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Co-Dergocrine Mesilate CEP

A Co-Dergocrine Mesilate CEP of the European Pharmacopoeia monograph is often referred to as a Co-Dergocrine Mesilate Certificate of Suitability (COS). The purpose of a Co-Dergocrine Mesilate CEP is to show that the European Pharmacopoeia monograph adequately controls the purity of Co-Dergocrine Mesilate EP produced by a given manufacturer. Suppliers of raw materials can prove the suitability of Co-Dergocrine Mesilate to their clients by showing that a Co-Dergocrine Mesilate CEP has been issued for it. The manufacturer submits a Co-Dergocrine Mesilate CEP (COS) as part of the market authorization procedure, and it takes on the role of a Co-Dergocrine Mesilate CEP holder for the record. Additionally, the data presented in the Co-Dergocrine Mesilate CEP (COS) is managed confidentially and offers a centralized system acknowledged by numerous nations, exactly like the Co-Dergocrine Mesilate DMF.

A Co-Dergocrine Mesilate CEP (COS) is recognised by all 36 nations that make up the European Pharmacopoeia Convention. Co-Dergocrine Mesilate CEPs may be accepted in nations that are not members of the Ph. Eur. at the discretion of the authorities there.

click here to find a list of Co-Dergocrine Mesilate suppliers with CEP (COS) on PharmaCompass.

Co-Dergocrine Mesilate GMP

Co-Dergocrine Mesilate Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Co-Dergocrine Mesilate GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Co-Dergocrine Mesilate GMP manufacturer or Co-Dergocrine Mesilate GMP API supplier for your needs.

Co-Dergocrine Mesilate CoA

A Co-Dergocrine Mesilate CoA (Certificate of Analysis) is a formal document that attests to Co-Dergocrine Mesilate's compliance with Co-Dergocrine Mesilate specifications and serves as a tool for batch-level quality control.

Co-Dergocrine Mesilate CoA mostly includes findings from lab analyses of a specific batch. For each Co-Dergocrine Mesilate CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Co-Dergocrine Mesilate may be tested according to a variety of international standards, such as European Pharmacopoeia (Co-Dergocrine Mesilate EP), Co-Dergocrine Mesilate JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Co-Dergocrine Mesilate USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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