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71-27-2 molecular structure
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trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dichloride

ChemBase ID: 177949
Molecular Formular: C14H30Cl2N2O4
Molecular Mass: 361.305
Monoisotopic Mass: 360.15826281
SMILES and InChIs

SMILES:
C(COC(=O)CCC(=O)OCC[N+](C)(C)C)[N+](C)(C)C.[Cl-].[Cl-]
Canonical SMILES:
O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-]
InChI:
InChI=1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKey:
YOEWQQVKRJEPAE-UHFFFAOYSA-L

Cite this record

CBID:177949 http://www.chembase.cn/molecule-177949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dichloride
IUPAC Traditional name
succinylcholine dichloride
Synonyms
2,2'-[(1,4-Dioxo-1,4-butanediyl)bis(oxy)]bis[N,N,N-trimethylethanaminium Chloride
2-Dimethylaminoethyl Succinate Dimethochloride
Anectine
Diacetylcholine Dichloride
Lysthenon
Midarine
Scoline
Succinylcholine Chloride
CAS Number
71-27-2
PubChem SID
164233859
PubChem CID
22475

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC S692100 external link Add to cart
PubChem 22475 external link
Data Source Data ID Price
TRC
S692100 external link Add to cart Please log in.
Data Source Data ID
PubChem 22475 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -8.394079  LogD (pH = 7.4) -8.394079 
Log P -8.394079  Molar Refractivity 100.9406 cm3
Polarizability 31.004166 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
203-205°C expand Show data source
Storage Condition
Refrigerator, under inert atmosphere expand Show data source
Storage Warning
Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - S692100 external link
A neuromuscular blocking agent. Muscle relaxant (skeletal).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jensen, B., et al.: Acta Chem. Scand., 30, 1002 (1976)
  • • Anttila, P., et al.: Med. Biol., 56, 152 (1976)
  • • Foss, P.R.B., et al.: Anal. Profiles Drug Subs., 10, 691 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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