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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H44F2N8O4
Molecular Weight 690.7826
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Amino-3-[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]-1-[(2S,3S)-2-hydroxypentan-3-yl]urea

SMILES

CC[C@@H]([C@H](C)O)N(N)C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(OC[C@@H]4CO[C@](CN5C=NC=N5)(C4)C6=C(F)C=C(F)C=C6)C=C3

InChI

InChIKey=DVMIMOWSMPCOKK-YUYQYMTJSA-N
InChI=1S/C36H44F2N8O4/c1-3-34(25(2)47)46(39)35(48)42-28-5-7-29(8-6-28)43-14-16-44(17-15-43)30-9-11-31(12-10-30)49-20-26-19-36(50-21-26,22-45-24-40-23-41-45)32-13-4-27(37)18-33(32)38/h4-13,18,23-26,34,47H,3,14-17,19-22,39H2,1-2H3,(H,42,48)/t25-,26+,34-,36-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Amino-3-[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]-1-[(2S,3S)-2-hydroxypentan-3-yl]urea
Systematic Name English
Posaconazole semicarbazide analog
Preferred Name English
Code System Code Type Description
FDA UNII
8B5LNT5SSE
Created by admin on Wed Apr 02 17:27:07 GMT 2025 , Edited by admin on Wed Apr 02 17:27:07 GMT 2025
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PUBCHEM
171379153
Created by admin on Wed Apr 02 17:27:07 GMT 2025 , Edited by admin on Wed Apr 02 17:27:07 GMT 2025
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