2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H35N5O3
Molecular Weight	513.6306
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

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(O)C=C5

InChI

InChIKey=QLRPRKJUMRQTOV-RNWIMVQKSA-N

InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H35N5O3
Molecular Weight	513.6306
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:53 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:53 GMT 2023`
Record UNII	AEC3B29KV4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Systematic Name

English

3H-1,2,4-Triazol-3-one, 2-[(1R,2R)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-

Systematic Name

English

1-((2R,3R)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

Systematic Name

English

Posaconazole Impurity RR

Common Name

English

Code System Code Type Description

FDA UNII

AEC3B29KV4

Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023

PRIMARY

CAS

2243786-01-6

Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023

PRIMARY

PUBCHEM

95474050

Created by admin on Sat Dec 16 19:56:53 GMT 2023 , Edited by admin on Sat Dec 16 19:56:53 GMT 2023

PRIMARY

Related Record Type Details


					EDU2QU4W5C

rel-2-[(1R,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

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