o-Benzyl posaconazole

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H48F2N8O4
Molecular Weight	790.8999
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N2N=CN(C2=O)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(OC[C@@H]6CO[C@](CN7C=NC=N7)(C6)C8=C(F)C=C(F)C=C8)C=C5

InChI

InChIKey=XZBSQKGAKKWACB-QCKBNUSDSA-N

InChI=1S/C44H48F2N8O4/c1-3-42(32(2)56-25-33-7-5-4-6-8-33)54-43(55)53(31-49-54)38-12-10-36(11-13-38)50-19-21-51(22-20-50)37-14-16-39(17-15-37)57-26-34-24-44(58-27-34,28-52-30-47-29-48-52)40-18-9-35(45)23-41(40)46/h4-18,23,29-32,34,42H,3,19-22,24-28H2,1-2H3/t32-,34+,42-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H48F2N8O4
Molecular Weight	790.8999
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:05:05 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:05 GMT 2025`
Record UNII	KP42ZUV3Z5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

o-Benzyl posaconazole

Common Name

English

2,5-ANHYDRO-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-4-((4-(4-(4-(1-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-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

Preferred 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-(PHENYLMETHOXY)PROPYL)-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

4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-((2S,3S)-2-(BENZYLOXY)PENTAN-3-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

KP42ZUV3Z5

Created by admin on Wed Apr 02 12:05:05 GMT 2025 , Edited by admin on Wed Apr 02 12:05:05 GMT 2025

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CAS

170985-86-1

Created by admin on Wed Apr 02 12:05:05 GMT 2025 , Edited by admin on Wed Apr 02 12:05:05 GMT 2025

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PUBCHEM

11136519

Created by admin on Wed Apr 02 12:05:05 GMT 2025 , Edited by admin on Wed Apr 02 12:05:05 GMT 2025

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EPA CompTox

DTXSID70456434

Created by admin on Wed Apr 02 12:05:05 GMT 2025 , Edited by admin on Wed Apr 02 12:05:05 GMT 2025

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