PENBEROL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H17BrO4
Molecular Weight	341.197
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PENBEROL

Structure Search

SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(\Br)=C/C(O)=O

InChI

InChIKey=KPUGJSNAPAAEJB-JLHYYAGUSA-N

InChI=1S/C15H17BrO4/c1-2-3-4-9-20-12-7-5-11(6-8-12)15(19)13(16)10-14(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)/b13-10+

HIDE SMILES / InChI

Molecular Formula	C15H17BrO4
Molecular Weight	341.197
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 21:26:10 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:10 GMT 2025`
Record UNII	5KAI8N485T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENBEROL

Common Name

English

NSC-172760

Preferred Name

English

(2E)-3-BROMO-4-OXO-4-(4-(PENTYLOXY)PHENYL)-2-BUTENOIC ACID

Systematic Name

English

2-BUTENOIC ACID, 3-BROMO-4-OXO-4-(4-(PENTYLOXY)PHENYL)-, (E)-

Systematic Name

English

2-BUTENOIC ACID, 3-BROMO-4-OXO-4-(4-(PENTYLOXY)PHENYL)-, (2E)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C274

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

Code System Code Type Description

CAS

24740-92-9

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

NSC

172760

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

PRIMARY

CAS

42241-78-1

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

PRIMARY

FDA UNII

5KAI8N485T

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

PRIMARY

PUBCHEM

10246667

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

PRIMARY

NCI_THESAURUS

C1187

Created by admin on Mon Mar 31 21:26:10 GMT 2025 , Edited by admin on Mon Mar 31 21:26:10 GMT 2025

PRIMARY