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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO4
Molecular Weight 277.3157
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-PH-2-PROPYNYL)DNJ

SMILES

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC#CC2=CC=CC=C2

InChI

InChIKey=MPBXGEJDCODCRV-LXTVHRRPSA-N
InChI=1S/C15H19NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-15,17-20H,8-10H2/t12-,13+,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H19NO4
Molecular Weight 277.3157
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:56 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:56 GMT 2023
Record UNII
4ORT28L69M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-PH-2-PROPYNYL)DNJ
Common Name English
3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-1-(3-PHENYL-2-PROPYNYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.,5.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
4ORT28L69M
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID10928084
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
PUBCHEM
15021792
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
CAS
133342-49-1
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY