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1867-58-9

1867-58-9 | clomethiazole ethane-1,2-disulfonate

CAS No: 1867-58-9 Catalog No: AG00AXIP MDL No:

Product Description

Catalog Number:
AG00AXIP
Chemical Name:
clomethiazole ethane-1,2-disulfonate
CAS Number:
1867-58-9
IUPAC Name:
5-(2-chloroethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid
InChI:
InChI=1S/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChI Key:
WFVBVWRCFZCWJU-UHFFFAOYSA-N
EC Number:
217-483-0
UNII:
22NJI0W1D2

Properties

Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.974g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
513.478g/mol
Monoisotopic Mass:
511.974g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Pharmacokinetics and sedative effects in healthy subjects and subjects with impaired liver function after continuous infusion of clomethiazole. European journal of clinical pharmacology 20030601

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