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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H34N2O5
Molecular Weight 526.6228
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (αR)-α-[[[(1S)-2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol

SMILES

COC1=CC=C(C[C@H](C)N(C[C@H](O)C2=CC(=C(OCC3=CC=CC=C3)C=C2)[N+]([O-])=O)CC4=CC=CC=C4)C=C1

InChI

InChIKey=STIBLONETZHESW-DLLPINGYSA-N
InChI=1S/C32H34N2O5/c1-24(19-25-13-16-29(38-2)17-14-25)33(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(20-28)34(36)37)39-23-27-11-7-4-8-12-27/h3-18,20,24,31,35H,19,21-23H2,1-2H3/t24-,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(αR)-α-[[[(1S)-2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol
Systematic Name English
Benzenemethanol, α-[[[(1S)-2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)-, (αR)-
Systematic Name English
Code System Code Type Description
CAS
1279038-03-7
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY
FDA UNII
86MH8W4RN3
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID301104676
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY
PUBCHEM
45358709
Created by admin on Sat Dec 16 19:31:30 GMT 2023 , Edited by admin on Sat Dec 16 19:31:30 GMT 2023
PRIMARY