Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate
TL;DR: Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate (CAS 79953-81-4) is a chemical compound with molecular formula C55H71N8O16P and molecular weight 1130.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Syndol, SID:134224533, Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate, (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1,1) (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine butanedioate (1,1) and N-(4-hydroxyphenyl)acetamide
| Molecular Formula | C55H71N8O16P |
|---|---|
| Molecular Weight | 1130.47 g/mol |
| LogP | 3.7529 |
| Topological Polar Surface Area | 330.8 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 1130.4725 |
| Heavy Atoms | 80 |
| Complexity | 3211.1 |
Chemical Identifiers
| CAS Number | 79953-81-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(CC(=O)O)C(=O)O.OP(=O)(O)O |
Product Overview
Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate (CAS 79953-81-4), with molecular formula C55H71N8O16P and molecular weight 1130.47 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate
Property Insights of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate
The XLogP value of 3.7529 indicates that Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 330.8 Ų indicates high polarity, suggesting Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate?
The CAS number of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate is 79953-81-4.
What is the molecular formula of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate?
The molecular formula of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate is C55H71N8O16P.
What is the molecular weight of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate?
The molecular weight of Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate is 1130.47 g/mol.
Where can I buy Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate?
You can request a quote for Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate?
Yes, KEHONG BIO provides custom synthesis services for Acetaminophen mixture with caffeine, codeine phosphate and doxylamine succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.