4(3H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H24BrN5O2
Molecular Weight	458.352
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4(3H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-

Structure Search

SMILES

CC1=NC=C(CC2=CNC(NCCCC(O)C3=C(C)C=C(Br)C=N3)=NC2=O)C=C1

InChI

InChIKey=LBGDGQCYSGXYBU-UHFFFAOYSA-N

InChI=1S/C21H24BrN5O2/c1-13-8-17(22)12-25-19(13)18(28)4-3-7-23-21-26-11-16(20(29)27-21)9-15-6-5-14(2)24-10-15/h5-6,8,10-12,18,28H,3-4,7,9H2,1-2H3,(H2,23,26,27,29)

HIDE SMILES / InChI

Molecular Formula	C21H24BrN5O2
Molecular Weight	458.352
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:03 GMT 2023`
Record UNII	G2DZX7TF17
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4(3H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-

Systematic Name

English

2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-4(3H)-PYRIMIDINONE

Systematic Name

English

SK&F 95109

Common Name

English

SKF 95109

Common Name

English

93944-MET-III

Code

English

TEMELASTINE METABOLITE M3

Common Name

English

4(1H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

120768-83-4

Created by admin on Sat Dec 16 15:20:04 GMT 2023 , Edited by admin on Sat Dec 16 15:20:04 GMT 2023

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FDA UNII

G2DZX7TF17

Created by admin on Sat Dec 16 15:20:04 GMT 2023 , Edited by admin on Sat Dec 16 15:20:04 GMT 2023

PRIMARY

PUBCHEM

146014887

Created by admin on Sat Dec 16 15:20:04 GMT 2023 , Edited by admin on Sat Dec 16 15:20:04 GMT 2023

PRIMARY

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TEMELASTINE

PARENT -> METABOLITE

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