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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29N5O3
Molecular Weight	423.5081
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 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

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(O)C=C4

InChI

InChIKey=MKXULDIKWHPPDH-JTSKRJEESA-N

InChI=1S/C23H29N5O3/c1-3-22(17(2)29)28-23(31)27(16-24-28)20-6-4-18(5-7-20)25-12-14-26(15-13-25)19-8-10-21(30)11-9-19/h4-11,16-17,22,29-30H,3,12-15H2,1-2H3/t17-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29N5O3
Molecular Weight	423.5081
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 18:32:48 GMT 2023` Edited by `admin` on `Sat Dec 16 18:32:48 GMT 2023`
Record UNII	4M9GW2UZ9F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

POSACONAZOLE (M7)

Common Name

English

DES(1-((2-(2,4-DIFLUOROPHENYL)-4-METHYLTETRAHYDROFURAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE)POSACONAZOLE

Common Name

English

3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

46223298

Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023

PRIMARY

FDA UNII

4M9GW2UZ9F

Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023

PRIMARY

CAS

687132-01-0

Created by admin on Sat Dec 16 18:32:48 GMT 2023 , Edited by admin on Sat Dec 16 18:32:48 GMT 2023

PRIMARY

Related Record Type Details


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POSACONAZOLE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL; PLASMA; URINE

Amount: