Psychotrine dihydrogen oxalate
TL;DR: Psychotrine dihydrogen oxalate (CAS 30959-09-2) is a chemical compound with molecular formula C30H38N2O8 and molecular weight 554.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol;oxalic acid
Also Known As: Ipecac alkaloid, Psychotrine dihydrogen oxalate, Emetan-6'-ol, 1',2'-didehydro-7',10,11-trimethoxy-, ethanedioate (1:2) (salt), 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol;oxalic acid, Oxalic acid--7',10,11-trimethoxy-1',5'-didehydro-5',6'-dihydroemetan-6'-one (1/1)
| Molecular Formula | C30H38N2O8 |
|---|---|
| Molecular Weight | 554.26 g/mol |
| LogP | 3.95 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.2628 |
| Heavy Atoms | 40 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 30959-09-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC.C(=O)(C(=O)O)O |
| InChIKey | LDPBSCQIEPAWML-TWAIVCOHSA-N |
Product Overview
Psychotrine dihydrogen oxalate (CAS 30959-09-2), with molecular formula C30H38N2O8 and molecular weight 554.26 g/mol. IUPAC: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydroisoquinolin-6-ol;oxalic acid.
Chemical Property Profile of Psychotrine dihydrogen oxalate
Property Insights of Psychotrine dihydrogen oxalate
The XLogP value of 3.95 indicates that Psychotrine dihydrogen oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Psychotrine dihydrogen oxalate. Following Lipinski's Rule of Five, Psychotrine dihydrogen oxalate has 3 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 Psychotrine dihydrogen oxalate?
The CAS number of Psychotrine dihydrogen oxalate is 30959-09-2.
What is the molecular formula of Psychotrine dihydrogen oxalate?
The molecular formula of Psychotrine dihydrogen oxalate is C30H38N2O8.
What is the molecular weight of Psychotrine dihydrogen oxalate?
The molecular weight of Psychotrine dihydrogen oxalate is 554.26 g/mol.
Where can I buy Psychotrine dihydrogen oxalate?
You can request a quote for Psychotrine dihydrogen oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Psychotrine dihydrogen oxalate?
Yes, KEHONG BIO provides custom synthesis services for Psychotrine dihydrogen oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.