CAS 1059630-13-5

Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)

Description:

Benzeneacetic acid, α-hydroxy-, (αS)-, in combination with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole, is a complex chemical compound characterized by its unique structural features and stereochemistry. The presence of the α-hydroxy group in the benzeneacetic acid moiety suggests potential for hydrogen bonding and reactivity, which may influence its solubility and interaction with biological systems. The pyridoindole component contributes to the compound's potential pharmacological properties, as indole derivatives are often associated with various biological activities. The specific stereochemistry indicated by the (αS) and (4aS,9bR) designations suggests that the compound may exhibit chirality, which can significantly affect its biological activity and interaction with receptors. Overall, this compound may be of interest in medicinal chemistry and pharmacology, particularly in the development of therapeutic agents, due to its structural complexity and potential bioactivity. Further studies would be necessary to elucidate its specific properties and applications.

Formula: C₁₉H₂₁BrN₂O₃

InChI: InChI=1S/C11H13BrN2.C8H8O3/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,8,10,13-14H,4-6H2;1-5,7,9H,(H,10,11)/t8-,10-;7-/m00/s1

InChI key: InChIKey=KJDBEPXSDXUHIS-PCUCGQLRSA-N

SMILES: BrC1=C2C([C@]3([C@@](N2)(CCNC3)[H])[H])=CC=C1.[C@H](C(O)=O)(O)C1=CC=CC=C1

Synonyms:

• Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)
• (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole - [H81233]
• 4aS 9bR -6-x-1H 2H 3H 4H 4aH 5H 9bH-bd[4 3-b]yd 2S -2-qj-2-bjysy 1059630-13-5
• (2S)-2-HYDROXY-2-PHENYLACETIC ACID: (4AS,9BR)-6-BROMO-1H,2H,3H,4H,4AH,5H,9BH-PYRIDO[4,3-B]INDOLE
• (2S)-Hydroxy(phenyl)acetic acid-(4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)
• (4aS,9bR)-6-Bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole S-Mandelic acid
• (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
• 4aS,9bR]-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole S-mandelate
• (4aS,9bR)-6-Bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (S)-2-Hydroxy-2-phenylacetate
• (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole (S)-(+)-Mandelic acid Salt
• (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole,(2S)-2-hydroxy-2-phenylacetic acid

(2S)-2-Hydroxy-2-phenylacetic acid, (4as,9br)-6-bromo-1h,2h,3h,4h,4ah,5h,9bh-pyrido[4,3-b]indole

CAS: 1059630-13-5

Formula: C₁₉H₂₁BrN₂O₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 405.2856

Ref: IN-DA00HAQK