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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22BrN5O4
Molecular Weight 488.334
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-(HYDROXYMETHYL)-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-

SMILES

OCC1=C(CCCCNC2=NC(=O)C(CC3=CN=C(C=C3)C(O)=O)=CN2)N=CC(Br)=C1

InChI

InChIKey=QZDMIDHFYIEDIZ-UHFFFAOYSA-N
InChI=1S/C21H22BrN5O4/c22-16-8-15(12-28)17(25-11-16)3-1-2-6-23-21-26-10-14(19(29)27-21)7-13-4-5-18(20(30)31)24-9-13/h4-5,8-11,28H,1-3,6-7,12H2,(H,30,31)(H2,23,26,27,29)

HIDE SMILES / InChI

Molecular Formula C21H22BrN5O4
Molecular Weight 488.334
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 Sat Dec 16 15:20:03 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:03 GMT 2023
Record UNII
FVZ8GPK8V9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-(HYDROXYMETHYL)-2-PYRIDINYL)BUTYL)AMINO)-1,6-DIHYDRO-6-OXO-5-PYRIMIDINYL)METHYL)-
Systematic Name English
93944-MET-VI
Code English
2-PYRIDINECARBOXYLIC ACID, 5-((2-((4-(5-BROMO-3-(HYDROXYMETHYL)-2-PYRIDINYL)BUTYL)AMINO)-1,4-DIHYDRO-4-OXO-5-PYRIMIDINYL)METHYL)-
Systematic Name English
TEMELASTINE METABOLITE M6
Common Name English
Code System Code Type Description
CAS
127807-41-4
Created by admin on Sat Dec 16 15:20:03 GMT 2023 , Edited by admin on Sat Dec 16 15:20:03 GMT 2023
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FDA UNII
FVZ8GPK8V9
Created by admin on Sat Dec 16 15:20:03 GMT 2023 , Edited by admin on Sat Dec 16 15:20:03 GMT 2023
PRIMARY
PUBCHEM
146014894
Created by admin on Sat Dec 16 15:20:03 GMT 2023 , Edited by admin on Sat Dec 16 15:20:03 GMT 2023
PRIMARY
Related Record Type Details
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