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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18N2O3
Molecular Weight 310.3471
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol, (1R,2R)-

SMILES

N[C@H](CCC#CC1=CC=C(C=C1)[N+]([O-])=O)[C@H](O)C2=CC=CC=C2

InChI

InChIKey=NUYUVPBMWWSUEN-QZTJIDSGSA-N
InChI=1S/C18H18N2O3/c19-17(18(21)15-7-2-1-3-8-15)9-5-4-6-14-10-12-16(13-11-14)20(22)23/h1-3,7-8,10-13,17-18,21H,5,9,19H2/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H18N2O3
Molecular Weight 310.3471
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:55:11 GMT 2025
Edited
by admin
on Wed Apr 02 19:55:11 GMT 2025
Record UNII
RKD95GE354
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?R)-?-[(1R)-1-Amino-5-(4-nitrophenyl)-4-pentyn-1-yl]benzenemethanol
Preferred Name English
2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol, (1R,2R)-
Systematic Name English
Benzenemethanol, ?-[(1R)-1-amino-5-(4-nitrophenyl)-4-pentyn-1-yl]-, (?R)-
Systematic Name English
Code System Code Type Description
CAS
1628898-52-1
Created by admin on Wed Apr 02 19:55:11 GMT 2025 , Edited by admin on Wed Apr 02 19:55:11 GMT 2025
PRIMARY
PUBCHEM
86296127
Created by admin on Wed Apr 02 19:55:11 GMT 2025 , Edited by admin on Wed Apr 02 19:55:11 GMT 2025
PRIMARY
FDA UNII
RKD95GE354
Created by admin on Wed Apr 02 19:55:11 GMT 2025 , Edited by admin on Wed Apr 02 19:55:11 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT