1-PYRROLIDINECARBOXALDEHYDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24F2N6O3
Molecular Weight	410.4184
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-PYRROLIDINECARBOXALDEHYDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-

Structure Search

SMILES

OC1=CN=C(N=C1)N2CCN(CC2)[C@H]3C[C@H](N(C3)C=O)C(=O)N4CCC(F)(F)C4

InChI

InChIKey=BHSNEBFIJUPZMI-ZFWWWQNUSA-N

InChI=1S/C18H24F2N6O3/c19-18(20)1-2-25(11-18)16(29)15-7-13(10-26(15)12-27)23-3-5-24(6-4-23)17-21-8-14(28)9-22-17/h8-9,12-13,15,28H,1-7,10-11H2/t13-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H24F2N6O3
Molecular Weight	410.4184
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 16:53:56 GMT 2023` Edited by `admin` on `Sat Dec 16 16:53:56 GMT 2023`
Record UNII	57A5WQ04TA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-PYRROLIDINECARBOXALDEHYDE, 2-((3,3-DIFLUORO-1-PYRROLIDINYL)CARBONYL)-4-(4-(5-HYDROXY-2-PYRIMIDINYL)-1-PIPERAZINYL)-, (2S,4S)-

Systematic Name

English

PF-00734200 METABOLITE M11

Common Name

English

Code System Code Type Description

PUBCHEM

118753338

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

PRIMARY

FDA UNII

57A5WQ04TA

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

PRIMARY

CAS

1424035-16-4

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

PRIMARY

Related Record Type Details


					GI718UO477

GOSOGLIPTIN

PARENT -> METABOLITE

Qualification:

URINE