Ergocryptine, dihydro-, tartrate
TL;DR: Ergocryptine, dihydro-, tartrate (CAS 73986-90-0) is a chemical compound with molecular formula C36H49N5O11 and molecular weight 727.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: Dihydroergokryptine tartrate, Ergocryptine, dihydro-, tartrate, (2R,3R)-2,3-Dihydroxybutanedioic acid--N-[(2R,5S,10aS,10bS)-10b-hydroxy-5-(2-methylpropyl)-3,6-dioxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8beta-carboximidic acid (1/1), 2,3-Dihydroxybutanedioic acid--N-[10b-hydroxy-5-(2-methylpropyl)-3,6-dioxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid (1/1), Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.,10.alpha.)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
| Molecular Formula | C36H49N5O11 |
|---|---|
| Molecular Weight | 727.34 g/mol |
| LogP | 0.398 |
| Topological Polar Surface Area | 233.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 727.34283 |
| Heavy Atoms | 52 |
| Complexity | 1744.493 |
Chemical Identifiers
| CAS Number | 73986-90-0 |
|---|---|
| SMILES | 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.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
Ergocryptine, dihydro-, tartrate (CAS 73986-90-0), with molecular formula C36H49N5O11 and molecular weight 727.34 g/mol. IUPAC: (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;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Ergocryptine, dihydro-, tartrate
Property Insights of Ergocryptine, dihydro-, tartrate
The XLogP value of 0.398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergocryptine, dihydro-, tartrate. The TPSA of 233.27 Ų indicates high polarity, suggesting Ergocryptine, dihydro-, tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergocryptine, dihydro-, tartrate has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergocryptine, dihydro-, tartrate?
The CAS number of Ergocryptine, dihydro-, tartrate is 73986-90-0.
What is the molecular formula of Ergocryptine, dihydro-, tartrate?
The molecular formula of Ergocryptine, dihydro-, tartrate is C36H49N5O11.
What is the molecular weight of Ergocryptine, dihydro-, tartrate?
The molecular weight of Ergocryptine, dihydro-, tartrate is 727.34 g/mol.
Where can I buy Ergocryptine, dihydro-, tartrate?
You can request a quote for Ergocryptine, dihydro-, tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocryptine, dihydro-, tartrate?
Yes, KEHONG BIO provides custom synthesis services for Ergocryptine, dihydro-, tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.