ChemicalBook--->CAS DataBase List--->130792-44-8

130792-44-8

130792-44-8 Structure

130792-44-8 Structure
IdentificationBack Directory
[Name]

Imipenem Impurity 3
[CAS]

130792-44-8
[Synonyms]

Imipenem Impurity
Imipenem Impurity 6
2,2'-(1,6-bis((2-Formimidamidoethyl)thio)-5,10-dioxo-2,3,5,7,8,10-hexahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-3,8-diyl)bis(3-hydroxybutanoic Acid)
(2S,2''S,3R,3''R)-2,2''-((3R,8R)-1,6-bis((2-formimidamidoethyl)thio)-5,10-dioxo-2,7,8,10-tetrahydro-3H,5H-dipyrrolo[1,2-a:1'',2''-d]pyrazine-3,8-diyl)bis(3-hydroxybutanoic Acid)
3H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-3,8-diacetic acid, 2,7,8,10-tetrahydro-α,α'-bis(1-hydroxyethyl)-1,6-bis[[2-[(iminomethyl)amino]ethyl]thio]-5,10-dioxo-, [3R-[3α[S*(R*)],8α[S*(R*)]]]- (9CI)
[Molecular Formula]

C24H34N6O8S2
[MOL File]

130792-44-8.mol
[Molecular Weight]

598.69
Chemical PropertiesBack Directory
[Boiling point ]

890.9±75.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[pka]

3.61±0.10(Predicted)
[InChIKey]

BFEMIACRAITJLK-UHFFFAOYSA-N
[SMILES]

C(C1CC(SCCNC=N)=C2C(N3C(C(C(=O)O)C(O)C)CC(SCCNC=N)=C3C(=O)N12)=O)(C(=O)O)C(O)C
Hazard InformationBack Directory
[Uses]

2,2''-(1,6-bis((2-Formimidamidoethyl)thio)-5,10-dioxo-2,3,5,7,8,10-hexahydrodipyrrolo[1,2-a:1'',2''-d]pyrazine-3,8-diyl)bis(3-hydroxybutanoic Acid) is an impurity of Imipenem (I465200), an extremely broad-spectrum semi-synthetic antibiotic.
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