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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H42F2N8O4
Molecular Weight 700.7774
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POSACONAZOLE, (3R)-

SMILES

CC[C@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=CC=C(F)C=C7F)C=C4

InChI

InChIKey=RAGOYPUPXAKGKH-SUUNXRQISA-N
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35+,37-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
POSACONAZOLE, (3R)-
Common Name English
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
Systematic Name English
Code System Code Type Description
PUBCHEM
11542142
Created by admin on Sat Dec 16 19:16:25 GMT 2023 , Edited by admin on Sat Dec 16 19:16:25 GMT 2023
PRIMARY
FDA UNII
SS7H9K9U26
Created by admin on Sat Dec 16 19:16:25 GMT 2023 , Edited by admin on Sat Dec 16 19:16:25 GMT 2023
PRIMARY