2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22BrN5O3
Molecular Weight	472.335
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-

Structure Search

SMILES

CC1=C(CCCCNC2=NC(=O)C(CC3=CN=C(C=C3)C(O)=O)=CN2)N=CC(Br)=C1

InChI

InChIKey=LQPKWLSQJLCYSN-UHFFFAOYSA-N

InChI=1S/C21H22BrN5O3/c1-13-8-16(22)12-25-17(13)4-2-3-7-23-21-26-11-15(19(28)27-21)9-14-5-6-18(20(29)30)24-10-14/h5-6,8,10-12H,2-4,7,9H2,1H3,(H,29,30)(H2,23,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C21H22BrN5O3
Molecular Weight	472.335
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:15:07 GMT 2025` Edited by `admin` on `Wed Apr 02 06:15:07 GMT 2025`
Record UNII	C0ZWX7SA7K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

93944-MET-V

Preferred Name

English

2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-

Systematic Name

English

SKF 95757

Code

English

2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-1,4-DIHYDRO-4-OXO-5-PYRIMIDINYL)METHYL)-

Systematic Name

English

SK&F 95757

Code

English

TEMELASTINE METABOLITE M5

Common Name

English

Code System Code Type Description

PUBCHEM

146014888

Created by admin on Wed Apr 02 06:15:07 GMT 2025 , Edited by admin on Wed Apr 02 06:15:07 GMT 2025

PRIMARY

FDA UNII

C0ZWX7SA7K

Created by admin on Wed Apr 02 06:15:07 GMT 2025 , Edited by admin on Wed Apr 02 06:15:07 GMT 2025

PRIMARY

CAS

130177-38-7

Created by admin on Wed Apr 02 06:15:07 GMT 2025 , Edited by admin on Wed Apr 02 06:15:07 GMT 2025

PRIMARY

Related Record Type Details


					BF6IGI53XH

TEMELASTINE

PARENT -> METABOLITE

Comments:

IN VITRO