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24570-49-8 molecular structure
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{[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium iodide

ChemBase ID: 174863
Molecular Formular: C9H20INO2
Molecular Mass: 301.16507
Monoisotopic Mass: 301.05387689
SMILES and InChIs

SMILES:
[C@H]1(C[C@H](O[C@H]1C)C[N+](C)(C)C)O.[I-]
Canonical SMILES:
O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[I-]
InChI:
InChI=1S/C9H20NO2.HI/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKey:
PMFYONXEPDMBPE-CTERPIQNSA-M

Cite this record

CBID:174863 http://www.chembase.cn/molecule-174863.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium iodide
IUPAC Traditional name
(+)-muscarine iodide
Synonyms
2,5-Anhydro-1,4,6-trideoxy-6-(trimethylammonio)-D-ribohexitol Iodide
[2S-(2α,4β,5β)]-Tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-2-furanmethanaminium Iodide
L-(+)-Muscarine Iodide
L-Muscarine Iodide
(+)-Muscarine Iodide
CAS Number
24570-49-8
PubChem SID
164230773
PubChem CID
102226

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M814000 external link Add to cart
PubChem 102226 external link
Data Source Data ID Price
TRC
M814000 external link Add to cart Please log in.
Data Source Data ID
PubChem 102226 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.111784  H Acceptors
H Donor LogD (pH = 5.5) -4.284701 
LogD (pH = 7.4) -4.284699  Log P -4.284701 
Molar Refractivity 59.8931 cm3 Polarizability 19.357342 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M814000 external link
A cholinergic receptor involved in the production of gastric acid. Cholinergic.

REFERENCES

REFERENCES

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  • • Ohshiba, Y., et al.: Chem. Pharm. Bull., 43, 1067 (1995)
  • • Chen, S., et al.: J. Pharmacol. Exp. Ther., 313, 765 (1995)
  • • Nangle, M., et al.: Br. J. Pharmacol., 148, 423 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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