POSACONAZOLE, ALL-(R)-

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 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-FEIPFGSNSA-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+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

POSACONAZOLE, ALL-(R)-

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-[(2R,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

Systematic Name

English

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1R,2R)-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

ALL-(R)-(-)-POSACONAZOLE

Common Name

English

D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1R,2R)-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

Code System Code Type Description

EPA CompTox

DTXSID10861442

Created by admin on Sat Dec 16 18:29:57 GMT 2023 , Edited by admin on Sat Dec 16 18:29:57 GMT 2023

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CAS

170985-61-2

Created by admin on Sat Dec 16 18:29:57 GMT 2023 , Edited by admin on Sat Dec 16 18:29:57 GMT 2023

PRIMARY

PUBCHEM

24859194

Created by admin on Sat Dec 16 18:29:57 GMT 2023 , Edited by admin on Sat Dec 16 18:29:57 GMT 2023

PRIMARY

FDA UNII

4V2FM3N9KL

Created by admin on Sat Dec 16 18:29:57 GMT 2023 , Edited by admin on Sat Dec 16 18:29:57 GMT 2023

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SUBSTANCE RECORD


					4V2FM3N9KL

POSACONAZOLE, ALL-(R)-