PAT-5A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N3O3S.C4H4O4
Molecular Weight	497.52
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.O=C1NC(=O)C(S1)=CC2=CC=C(OC[C@@H]3CCCN3C4=NC=CC=C4)C=C2

InChI

InChIKey=KCLJXUODIYDBSJ-DASCVMRKSA-N

InChI=1S/C20H19N3O3S.C4H4O4/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18;5-3(6)1-2-4(7)8/h1-2,5-10,12,15H,3-4,11,13H2,(H,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C20H19N3O3S
Molecular Weight	381.448
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:46:28 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:28 GMT 2025`
Record UNII	89WPE89L1J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-THIAZOLIDINEDIONE, 5-((4-(((2S)-1-(2-PYRIDINYL)-2-PYRROLIDINYL)METHOXY)PHENYL)METHYLENE)-, (2Z)-2-BUTENEDIOATE (1:1)

Preferred Name

English

PAT-5A

Common Name

English

2,4-THIAZOLIDINEDIONE, 5-((4-((1-(2-PYRIDINYL)-2-PYRROLIDINYL)METHOXY)PHENYL)METHYLENE)-, (S)-, (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

89WPE89L1J

Created by admin on Mon Mar 31 22:46:28 GMT 2025 , Edited by admin on Mon Mar 31 22:46:28 GMT 2025

PRIMARY

CAS

199117-51-6

Created by admin on Mon Mar 31 22:46:28 GMT 2025 , Edited by admin on Mon Mar 31 22:46:28 GMT 2025

PRIMARY

PUBCHEM

76956842

Created by admin on Mon Mar 31 22:46:28 GMT 2025 , Edited by admin on Mon Mar 31 22:46:28 GMT 2025

PRIMARY

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