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CAS 151867-81-1

:

(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one

Description:
The chemical substance known as (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one, with the CAS number 151867-81-1, is a complex organic compound characterized by its multi-ring structure and multiple functional groups. It features a diazepinone core, which is a bicyclic structure containing nitrogen atoms, contributing to its potential biological activity. The presence of hydroxyl groups indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The compound also contains several phenylmethyl substituents, which can enhance its lipophilicity and may play a role in its interaction with biological targets. The stereochemistry, denoted by the (4R,5S,6S,7R) configuration, suggests specific spatial arrangements that can significantly affect the compound's pharmacological properties. Overall, this substance may have applications in medicinal chemistry, particularly in the development of therapeutic agents, although specific biological activities would require further investigation.
Formula:C35H38N2O5
InChI:InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1
InChI key:InChIKey=XCVGQMUMMDXKCY-WZJLIZBTSA-N
SMILES:C(N1[C@H](CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H](CC3=CC=CC=C3)N(CC4=CC=C(CO)C=C4)C1=O)C5=CC=C(CO)C=C5
Synonyms:
  • 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
  • XM 323
  • (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
  • DMP 323
  • 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-, [4R-(4α,5α,6β,7β)]-
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