U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Unknown
139594
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 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
PRIMARY
PUBCHEM
156596882
Created by admin on Sat Dec 16 08:46:13 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of POSACONAZOLE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966