Ergotamine, tartrate
TL;DR: Ergotamine, tartrate (CAS 24381-56-4) is a chemical compound with molecular formula C37H41N5O11 and molecular weight 731.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: ergotamine tartrate, Ergotamine, tartrate, Medihaler ergotamine, Ergotamine, tartrate (1:1) salt, 379E793
| Molecular Formula | C37H41N5O11 |
|---|---|
| Molecular Weight | 731.28 g/mol |
| LogP | -0.13 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 731.2803 |
| Heavy Atoms | 53 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 24381-56-4 |
|---|---|
| SMILES | 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]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | NMTWKEWYQXZGCI-LYOWLMOVSA-N |
Product Overview
Ergotamine, tartrate (CAS 24381-56-4), with molecular formula C37H41N5O11 and molecular weight 731.28 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Ergotamine, tartrate
Property Insights of Ergotamine, tartrate
The XLogP value of -0.13 indicates that Ergotamine, tartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Ergotamine, tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergotamine, tartrate has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergotamine, tartrate?
The CAS number of Ergotamine, tartrate is 24381-56-4.
What is the molecular formula of Ergotamine, tartrate?
The molecular formula of Ergotamine, tartrate is C37H41N5O11.
What is the molecular weight of Ergotamine, tartrate?
The molecular weight of Ergotamine, tartrate is 731.28 g/mol.
Where can I buy Ergotamine, tartrate?
You can request a quote for Ergotamine, tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergotamine, tartrate?
Yes, KEHONG BIO provides custom synthesis services for Ergotamine, tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.