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128620-82-6 | 1,2,5-Dithiazocine-4-carboxylic acid, hexahydro-7,7-dimethyl-6-oxo-, (4R)-
CAS No: 128620-82-6 Catalog No: AG000Y81 MDL No:
Product Description
Catalog Number:
AG000Y81
Chemical Name:
1,2,5-Dithiazocine-4-carboxylic acid, hexahydro-7,7-dimethyl-6-oxo-, (4R)-
CAS Number:
128620-82-6
Molecular Formula:
C8H13NO3S2
Molecular Weight:
235.3237
IUPAC Name:
(4R)-7,7-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
InChI:
InChI=1S/C8H13NO3S2/c1-8(2)4-14-13-3-5(6(10)11)9-7(8)12/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChI Key:
PTARWFJHCZHOGS-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H]1CSSCC(C(=O)N1)(C)C
UNII:
FY2I4AJB16
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.316g/mol
Monoisotopic Mass:
235.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| [The protective effect of (4R)-hexahydro-7, 7-dimethyl-6-oxo-1, 2, 5-dithiazocine-4-carboxylic acid (SA3443), a novel cyclic disulfide, on acetaminophen-induced liver injury]. | Nihon yakurigaku zasshi. Folia pharmacologica Japonica 19910401 |
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