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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H36N2O9
Molecular Weight 556.6041
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CINEPAXADIL, (R)-

SMILES

COC1=CC(\C=C\C(=O)N2CCN(C[C@@H](O)COC3=C4OCCOC4=C(C=C3)C(C)=O)CC2)=CC(OC)=C1OC

InChI

InChIKey=SYFDPNLESAYNCB-WKOQKXSESA-N
InChI=1S/C29H36N2O9/c1-19(32)22-6-7-23(29-27(22)38-13-14-39-29)40-18-21(33)17-30-9-11-31(12-10-30)26(34)8-5-20-15-24(35-2)28(37-4)25(16-20)36-3/h5-8,15-16,21,33H,9-14,17-18H2,1-4H3/b8-5+/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H36N2O9
Molecular Weight 556.6041
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:09:58 GMT 2025
Edited
by admin
on Mon Mar 31 23:09:58 GMT 2025
Record UNII
VRS82BCY8H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINEPAXADIL, (R)-
Common Name English
2-PROPEN-1-ONE, 1-(4-(3-((8-ACETYL-2,3-DIHYDRO-1,4-BENZODIOXIN-5-YL)OXY)-2-HYDROXYPROPYL)-1-PIPERAZINYL)-3-(3,4,5-TRIMETHOXYPHENYL), (R)-
Preferred Name English
Code System Code Type Description
PUBCHEM
76971375
Created by admin on Mon Mar 31 23:09:58 GMT 2025 , Edited by admin on Mon Mar 31 23:09:58 GMT 2025
PRIMARY
FDA UNII
VRS82BCY8H
Created by admin on Mon Mar 31 23:09:58 GMT 2025 , Edited by admin on Mon Mar 31 23:09:58 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> RACEMATE