ASP-8497

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H23FN4O3S.C4H4O4
Molecular Weight	462.493
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N2C[C@@H](F)C[C@H]2C#N

InChI

InChIKey=YZYBLEWOKAXTOL-QPPPMHOJSA-N

InChI=1S/C14H23FN4O3S.C4H4O4/c1-14(3-5-18(6-4-14)23(2,21)22)17-9-13(20)19-10-11(15)7-12(19)8-16;5-3(6)1-2-4(7)8/h11-12,17H,3-7,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t11-,12-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C14H23FN4O3S
Molecular Weight	346.421
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:33:55 GMT 2025` Edited by `admin` on `Mon Mar 31 23:33:55 GMT 2025`
Record UNII	GC7THT248G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP-8497

Common Name

English

2-PYRROLIDINECARBONITRILE, 4-FLUORO-1-(((4-METHYL-1-(METHYLSULFONYL)-4-PIPERIDINYL)AMINO)ACETYL)-, (2S,4S)-, (2E)-2-BUTENEDIOATE (1:1)

Preferred Name

English

2-PYRROLIDINECARBONITRILE, 4-FLUORO-1-(2-((4-METHYL-1-(METHYLSULFONYL)-4-PIPERIDINYL)AMINO)ACETYL)-, (2S,4S)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000042422

Created by admin on Mon Mar 31 23:33:55 GMT 2025 , Edited by admin on Mon Mar 31 23:33:55 GMT 2025

PRIMARY

CAS

651055-26-4

Created by admin on Mon Mar 31 23:33:55 GMT 2025 , Edited by admin on Mon Mar 31 23:33:55 GMT 2025

PRIMARY

FDA UNII

GC7THT248G

Created by admin on Mon Mar 31 23:33:55 GMT 2025 , Edited by admin on Mon Mar 31 23:33:55 GMT 2025

PRIMARY

PUBCHEM

24779773

Created by admin on Mon Mar 31 23:33:55 GMT 2025 , Edited by admin on Mon Mar 31 23:33:55 GMT 2025

PRIMARY

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