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

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H24BrN5O3
Molecular Weight	474.351
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-1-OXIDO-3-PYRIDINYL)METHYL)-

Structure Search

SMILES

CC1=C(N=CC(Br)=C1)C(O)CCCNC2=NC(=O)C(CC3=C[N+]([O-])=C(C)C=C3)=CN2

InChI

InChIKey=QPQVRTURVCNYRM-UHFFFAOYSA-N

InChI=1S/C21H24BrN5O3/c1-13-8-17(22)11-24-19(13)18(28)4-3-7-23-21-25-10-16(20(29)26-21)9-15-6-5-14(2)27(30)12-15/h5-6,8,10-12,18,28H,3-4,7,9H2,1-2H3,(H2,23,25,26,29)

HIDE SMILES / InChI

Molecular Formula	C21H24BrN5O3
Molecular Weight	474.351
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 15:39:59 GMT 2023` Edited by `admin` on `Sat Dec 16 15:39:59 GMT 2023`
Record UNII	ZAC16BF4OA
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-1-OXIDO-3-PYRIDINYL)METHYL)-

Systematic Name

English

93944-MET-IV

Code

English

SKF 95149

Common Name

English

4(1H)-PYRIMIDINONE, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)-4-HYDROXYBUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-, N5-OXIDE

Systematic Name

English

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

Systematic Name

English

SK&F 95149

Common Name

English

TEMELASTINE METABOLITE M4

Common Name

English

Code System Code Type Description

FDA UNII

ZAC16BF4OA

Created by admin on Sat Dec 16 15:39:59 GMT 2023 , Edited by admin on Sat Dec 16 15:39:59 GMT 2023

PRIMARY

PUBCHEM

146014900

Created by admin on Sat Dec 16 15:39:59 GMT 2023 , Edited by admin on Sat Dec 16 15:39:59 GMT 2023

PRIMARY

CAS

127824-26-4

Created by admin on Sat Dec 16 15:39:59 GMT 2023 , Edited by admin on Sat Dec 16 15:39:59 GMT 2023

PRIMARY

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TEMELASTINE

PARENT -> METABOLITE

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