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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18N2O3.ClH
Molecular Weight 346.808
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 hydrochloride, (1R,2R)-

SMILES

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

InChI

InChIKey=DQQDOIRBXSOVJT-JAXOOIEVSA-N
InChI=1S/C18H18N2O3.ClH/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;1H/t17-,18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol hydrochloride, (1R,2R)-
Systematic Name English
(1R,2R)-2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol hydrochloric acid salt
Preferred Name English
Benzenemethanol, ?-[(1R)-1-amino-5-(4-nitrophenyl)-4-pentyn-1-yl]-, hydrochloride (1:1), (?R)-
Systematic Name English
(1R,2R)-2-Amino-6-(4-nitrophenyl)-1-phenylhex-5-yn-1-ol hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1628836-08-7
Created by admin on Wed Apr 02 21:17:48 GMT 2025 , Edited by admin on Wed Apr 02 21:17:48 GMT 2025
PRIMARY
FDA UNII
65WSF38B99
Created by admin on Wed Apr 02 21:17:48 GMT 2025 , Edited by admin on Wed Apr 02 21:17:48 GMT 2025
PRIMARY
PUBCHEM
86296126
Created by admin on Wed Apr 02 21:17:48 GMT 2025 , Edited by admin on Wed Apr 02 21:17:48 GMT 2025
PRIMARY
NIH
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