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CAS 208992-74-9

:

(3aR,9bR)-cis-3-[4-(9-Methoxy-1,2,3,3a,4,9b-hexahydro-[1]benzopyrano[3,4-c]pyrrol-2-yl)butyl]-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride

Description:
The chemical substance known as "(3aR,9bR)-cis-3-[4-(9-Methoxy-1,2,3,3a,4,9b-hexahydro-[1]benzopyrano[3,4-c]pyrrol-2-yl)butyl]-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride" with CAS number 208992-74-9 is a complex organic compound characterized by its intricate molecular structure, which includes multiple fused rings and functional groups. This compound features a thieno[3,2-d]pyrimidine core, which is known for its biological activity, particularly in medicinal chemistry. The presence of a methoxy group and a phenyl substituent suggests potential interactions with biological targets, making it of interest in pharmaceutical research. The hydrochloride salt form indicates enhanced solubility and stability, which are advantageous for drug formulation. Its stereochemistry, denoted by the (3aR,9bR) configuration, implies specific spatial arrangements that can influence its biological activity and interactions. Overall, this compound exemplifies the complexity and diversity of synthetic organic molecules used in drug discovery and development.
Formula:C30H30ClN5O4S
InChI:InChI=1/C30H29N5O4S.ClH/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18;/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37);1H/t19-,20-;/m1./s1
SMILES:COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)c4c(c5c(ncc(c6ccccc6)n5)s4)nc3O)C[C@@H]1CO2.Cl
Synonyms:
  • Fiduxosin hydrochloride
  • A-185980.1
  • Abt-980
  • 3-{4-[(3aR,9bR)-9-methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride (1:1)
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