U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C35H41NO2
Molecular Weight 507.7055
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2′-[[(1-Methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methylphenol]

SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=CC(C)=CC=C2O)CCC(C3=CC=CC=C3)C4=C(O)C=CC(C)=C4

InChI

InChIKey=OVJNATACTARGSL-UHFFFAOYSA-N
InChI=1S/C35H41NO2/c1-25(2)36(21-19-30(28-11-7-5-8-12-28)32-23-26(3)15-17-34(32)37)22-20-31(29-13-9-6-10-14-29)33-24-27(4)16-18-35(33)38/h5-18,23-25,30-31,37-38H,19-22H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C35H41NO2
Molecular Weight 507.7055
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:15 GMT 2023
Edited
by admin
on Sat Dec 16 10:18:15 GMT 2023
Record UNII
MJD3AVL2S5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2′-[[(1-Methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methylphenol]
Systematic Name English
Phenol, 2,2′-[[(1-methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methyl-
Systematic Name English
2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
Systematic Name English
Code System Code Type Description
FDA UNII
MJD3AVL2S5
Created by admin on Sat Dec 16 10:18:15 GMT 2023 , Edited by admin on Sat Dec 16 10:18:15 GMT 2023
PRIMARY
CAS
854306-72-2
Created by admin on Sat Dec 16 10:18:15 GMT 2023 , Edited by admin on Sat Dec 16 10:18:15 GMT 2023
PRIMARY
PUBCHEM
10074968
Created by admin on Sat Dec 16 10:18:15 GMT 2023 , Edited by admin on Sat Dec 16 10:18:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY