CAS 59978-04-0

(3S,5aS,10bS)-9-Chloro-3,4-dihydro-8-hydroxy-11-methoxy-10bH-5a,3-(iminomethano)-5H-benzofuro[2,3-f]-1,2,4-dithiazepine-5,12-dione

Description:

The chemical substance with the name "(3S,5aS,10bS)-9-Chloro-3,4-dihydro-8-hydroxy-11-methoxy-10bH-5a,3-(iminomethano)-5H-benzofuro[2,3-f]-1,2,4-dithiazepine-5,12-dione" and CAS number "59978-04-0" is a complex organic compound characterized by its unique bicyclic structure that incorporates both benzofuro and dithiazepine moieties. This compound features multiple functional groups, including a chloro group, hydroxyl group, and methoxy group, which contribute to its chemical reactivity and potential biological activity. The stereochemistry indicated by the (3S,5aS,10bS) configuration suggests specific spatial arrangements of atoms that may influence its interactions in biological systems. The presence of the iminomethano group adds to its structural complexity, potentially affecting its pharmacological properties. Such compounds are often of interest in medicinal chemistry due to their potential therapeutic applications, although specific biological activities would require further investigation. Overall, this substance exemplifies the intricate nature of synthetic organic compounds and their relevance in various fields, including pharmaceuticals and materials science.

Formula: C₁₂H₉ClN₂O₅S₂

InChI: InChI=1/C12H9ClN2O5S2/c1-19-15-10-9(17)14-12(11(15)18)8(21-22-10)4-2-5(13)6(16)3-7(4)20-12/h2-3,8,10,16H,1H3,(H,14,17)/t8-,10-,12?/m0/s1

InChI key: InChIKey=XMFSSFONDVHNFO-HOTUBEGUSA-N

SMILES: O(C)N1[C@]23[C@](C=4C(O2)=CC(O)=C(Cl)C4)(SS[C@@](C1=O)(NC3=O)[H])[H]

Synonyms:

• (3S,5aS,10bS)-9-Chloro-3,4-dihydro-8-hydroxy-11-methoxy-10bH-5a,3-(iminomethano)-5H-benzofuro[2,3-f]-1,2,4-dithiazepine-5,12-dione
• 10bH-5a,3-(Iminomethano)-5H-benzofuro[2,3-f]-1,2,4-dithiazepine-5,12-dione, 9-chloro-3,4-dihydro-8-hydroxy-11-methoxy-, (3S,5aS,10bS)-
• Antibiotic A 30641
• 10bH-5a,3-(Iminomethano)-5H-benzofuro[2,3-f]-1,2,4-dithiazepine-5,12-dione, 9-chloro-3,4-dihydro-8-hydroxy-11-methoxy-, [3S-(3α,5aα,10bα)]-
• A 30641
• 9-Chloro-8-hydroxy-11-methoxy-11H-3,11a-(iminomethano)(1,2,4)dithiazino(4,3-b)(1,2) benzoxazine- 4,12(3H)-dione
• (2S,3S,5'S)-5-Chloro-6-hydroxy-1'-methoxy-3,5'-epidithiospiro[benzofuran-2(3H),2'-piperazine]-3',6'-dione

A 30641

CAS: 59978-04-0

A 30641, an epidithioketopiperazine, has in vitro activity against Gram-positive bacteria and fungi.

Formula: C₁₂H₉ClN₂O₅S₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 360.79

Ref: TM-T26414