8'-Hydroxydihydroergotamine
TL;DR: 8'-Hydroxydihydroergotamine (CAS 90650-44-5) is a chemical compound with molecular formula C33H37N5O6 and molecular weight 599.27 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-2,10-dihydroxy-4-methyl-5,8-dioxo-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
Also Known As: 8'-Hydroxydihydroergotamine, 8/'-Hydroxydihydroergotamine, 8'-Hydroxy Dihydro Ergotamine-13C,d3 (mixture of diastereomers), (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-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, 8'-Hydroxy Dihydro Ergotamine(Mixture of Diastereomers)
| Molecular Formula | C33H37N5O6 |
|---|---|
| Molecular Weight | 599.27 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 599.2744 |
| Heavy Atoms | 44 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 90650-44-5 |
|---|---|
| SMILES | C[C@@]1(C(=O)N2[C@H](C(=O)N3[C@H]([C@@]2(O1)O)CCC3O)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C |
| InChIKey | AHRNWGXNCFKOII-UYPVSMPXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8'-Hydroxydihydroergotamine (CAS 90650-44-5), with molecular formula C33H37N5O6 and molecular weight 599.27 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-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.
Chemical Property Profile of 8'-Hydroxydihydroergotamine
Property Insights of 8'-Hydroxydihydroergotamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8'-Hydroxydihydroergotamine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8'-Hydroxydihydroergotamine. Following Lipinski's Rule of Five, 8'-Hydroxydihydroergotamine has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8'-Hydroxydihydroergotamine?
The CAS number of 8'-Hydroxydihydroergotamine is 90650-44-5.
What is the molecular formula of 8'-Hydroxydihydroergotamine?
The molecular formula of 8'-Hydroxydihydroergotamine is C33H37N5O6.
What is the molecular weight of 8'-Hydroxydihydroergotamine?
The molecular weight of 8'-Hydroxydihydroergotamine is 599.27 g/mol.
Where can I buy 8'-Hydroxydihydroergotamine?
You can request a quote for 8'-Hydroxydihydroergotamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8'-Hydroxydihydroergotamine?
Yes, KEHONG BIO provides custom synthesis services for 8'-Hydroxydihydroergotamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.