CAS 98672-91-4

(5Z)-7-[(1S,2R,3R,4R)-3-[[2-[(Phenylamino)carbonyl]hydrazinyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

Description:

The chemical substance known as (5Z)-7-[(1S,2R,3R,4R)-3-[[2-[(Phenylamino)carbonyl]hydrazinyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid, with the CAS number 98672-91-4, is characterized by its complex molecular structure, which includes multiple functional groups and stereocenters. This compound features a bicyclic framework, specifically a 7-oxabicyclo[2.2.1]heptane, which contributes to its unique three-dimensional conformation. The presence of a heptenoic acid moiety indicates that it has unsaturation, which may influence its reactivity and biological activity. Additionally, the phenylamino group suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry, denoted by the specific configuration at various chiral centers, is crucial for its biological activity and pharmacological properties. Overall, this compound's intricate structure and functional groups may provide diverse applications in drug development and other chemical fields.

Formula: C₂₁H₂₉N₃O₄

InChI: InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19-/m1/s1

InChI key: InChIKey=RJNDVCNWVBWHLY-YVUOLYODSA-N

SMILES: C(NNC(NC1=CC=CC=C1)=O)[C@H]2[C@@H](C/C=C\CCCC(O)=O)[C@]3(O[C@@]2(CC3)[H])[H]

Synonyms:

• (5Z)-7-[(1R,2R,3R,4S)-3-{[2-(phenylcarbamoyl)hydrazino]methyl}-7-oxabicyclo[2.2.1]hept-2-yl]hept-5-enoic acid
• (5Z)-7-[(1S,2R,3R,4R)-3-[[2-[(Phenylamino)carbonyl]hydrazinyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid
• 5-Heptenoic acid, 7-[(1S,2R,3R,4R)-3-[[2-[(phenylamino)carbonyl]hydrazino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-, (5Z)-
• 5-Heptenoic acid, 7-[(1S,2R,3R,4R)-3-[[2-[(phenylamino)carbonyl]hydrazinyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-, (5Z)-
• 5-Heptenoic acid, 7-[3-[[2-[(phenylamino)carbonyl]hydrazino]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-, [1S-[1α,2α(Z),3α,4α]]-
• 7-Oxabicyclo[2.2.1]heptane, 5-heptenoic acid deriv.
• Sq 29462
• Sq-29548

SQ-29548

Controlled Product

CAS: 98672-91-4

Formula: C₂₁H₂₉N₃O₄

Color and Shape: Neat

Molecular weight: 387.473

Ref: TR-S683703