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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25N5O2
Molecular Weight 331.4127
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(PIPERAZIN-1-YL)PHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCNCC3

InChI

InChIKey=ABWMMEGHWMLHAB-BBRMVZONSA-N
InChI=1S/C17H25N5O2/c1-3-16(13(2)23)22-17(24)21(12-19-22)15-6-4-14(5-7-15)20-10-8-18-9-11-20/h4-7,12-13,16,18,23H,3,8-11H2,1-2H3/t13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H25N5O2
Molecular Weight 331.4127
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 Sat Dec 16 08:46:13 UTC 2023
Edited
by admin
on Sat Dec 16 08:46:13 UTC 2023
Record UNII
CQ4E5T9AWX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(PIPERAZIN-1-YL)PHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
POSACONAZOLE (M6)
Common Name English
Code System Code Type Description
FDA UNII
CQ4E5T9AWX
Created by admin on Sat Dec 16 08:46:13 UTC 2023 , Edited by admin on Sat Dec 16 08:46:13 UTC 2023
PRIMARY
PUBCHEM
156596882
Created by admin on Sat Dec 16 08:46:13 UTC 2023 , Edited by admin on Sat Dec 16 08:46:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; URINE