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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29N5O3
Molecular Weight 423.5081
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1S,2S)-1-Ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(O)C=C4

InChI

InChIKey=MKXULDIKWHPPDH-JTSKRJEESA-N
InChI=1S/C23H29N5O3/c1-3-22(17(2)29)28-23(31)27(16-24-28)20-6-4-18(5-7-20)25-12-14-26(15-13-25)19-8-10-21(30)11-9-19/h4-11,16-17,22,29-30H,3,12-15H2,1-2H3/t17-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[(1S,2S)-1-Ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
Systematic Name English
POSACONAZOLE (M7)
Common Name English
DES(1-((2-(2,4-DIFLUOROPHENYL)-4-METHYLTETRAHYDROFURAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE)POSACONAZOLE
Common Name English
3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
46223298
Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023
PRIMARY
FDA UNII
4M9GW2UZ9F
Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023
PRIMARY
CAS
687132-01-0
Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023
PRIMARY