POSACONAZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

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

SHOW SMILES / InChI

Structure of POSACONAZOLE

Structure Search

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-XAKZXMRKSA-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

Official Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

Systematic Name

English

Posaconazole [WHO-DD]

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,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Systematic Name

English

3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-(1-ethyl-2-hydroxypropyl)-2,4-dihydro-, [3R-[3α(1S*,2S*),5α]]-

Systematic Name

English

POSACONAZOLE [MI]

Common Name

English

POSACONAZOLE [HSDB]

Common Name

English

POSACONAZOLE [EMA EPAR]

Common Name

English

POSACONAZOLE [VANDF]

Common Name

English

posaconazole [INN]

Common Name

English

POSACONAZOLE [ORANGE BOOK]

Common Name

English

POSACONAZOLE [USAN]

Common Name

English

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-

Systematic Name

English

SCH-56592

Code

English

(-)-POSACONAZOLE

Common Name

English

POSACONAZOLE [MART.]

Common Name

English

NOXAFIL

Brand Name

English

POSACONAZOLE [JAN]

Common Name

English

POSACONAZOLE [GREEN BOOK]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000008217

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

WHO-ATC

J02AC04

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

WHO-VATC

QJ02AC04

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

NCI_THESAURUS

C514

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

NDF-RT

N0000175487

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

CFR

21 CFR 524.1610

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

FDA ORPHAN DRUG

850521

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

FDA ORPHAN DRUG

187604

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

FDA ORPHAN DRUG

539016

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

LIVERTOX

NBK548934

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

Code System Code Type Description

DAILYMED

6TK1G07BHZ

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

NCI_THESAURUS

C61500

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

USAN

JJ-48

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

RXCUI

282446

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB20322

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

SMS_ID

100000089529

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

CAS

171228-49-2

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

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MERCK INDEX

m8993

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

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Merck Index

CHEBI

64355

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

HSDB

7421

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

ChEMBL

CHEMBL1397

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

WIKIPEDIA

POSACONAZOLE

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

DRUG CENTRAL

3483

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

INN

7713

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

FDA UNII

6TK1G07BHZ

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

PUBCHEM

468595

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

EPA CompTox

DTXSID6049066

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

DRUG BANK

DB01263

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

MESH

C101425

Created by admin on Fri Dec 15 15:37:24 UTC 2023 , Edited by admin on Fri Dec 15 15:37:24 UTC 2023

PRIMARY

ACTIVE MOIETY


					6TK1G07BHZ

METABOLITE (PARENT)


					CQ4E5T9AWX

2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-4-(4-(PIPERAZIN-1-YL)PHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

METABOLITE (PARENT)


					E2P944TS6D

POSACONAZOLE N-GLUCURONIDE

METABOLITE (PARENT)


					99WS835K5B

N-(4-(1-((2S,3S)-2-HYDROXYPENTAN-3-YL)-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)PHENYL)ACETAMIDE

METABOLITE (PARENT)


					XW2D9U7U5H

POSACONAZOLE-GLUCURONIDE

METABOLITE (PARENT)


					4M9GW2UZ9F

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