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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21F2N7O3
Molecular Weight 421.4012
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Basroparib

SMILES

COCCOC1=CC(F)=C(N2CCN(CC2)C3=NC(=O)C4=C(N3)N(C)N=N4)C(F)=C1

InChI

InChIKey=ALDDPEMJJONRDI-UHFFFAOYSA-N
InChI=1S/C18H21F2N7O3/c1-25-16-14(23-24-25)17(28)22-18(21-16)27-5-3-26(4-6-27)15-12(19)9-11(10-13(15)20)30-8-7-29-2/h9-10H,3-8H2,1-2H3,(H,21,22,28)

HIDE SMILES / InChI

Molecular Formula C18H21F2N7O3
Molecular Weight 421.4012
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 15:39:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:39 GMT 2023
Record UNII
P5LYN8CD74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Basroparib
INN  
Official Name English
5-{4-[2,6-difluoro-4-(2- methoxyethoxy)phenyl]piperazin-1-yl}-3-methyl-3,6- dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Systematic Name English
5-[4-[2,6-Difluoro-4-(2-methoxyethoxy)phenyl]-1-piperazinyl]-3,6-dihydro-3-methyl-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Systematic Name English
7H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-7-ONE, 5-(4-(2,6-DIFLUORO-4-(2-METHOXYETHOXY)PHENYL)-1-PIPERAZINYL)-3,6-DIHYDRO-3-METHYL-
Systematic Name English
Basroparib [INN]
Common Name English
Code System Code Type Description
CAS
1858179-75-5
Created by admin on Sat Dec 16 15:39:40 GMT 2023 , Edited by admin on Sat Dec 16 15:39:40 GMT 2023
PRIMARY
PUBCHEM
137017382
Created by admin on Sat Dec 16 15:39:40 GMT 2023 , Edited by admin on Sat Dec 16 15:39:40 GMT 2023
PRIMARY
SMS_ID
300000047395
Created by admin on Sat Dec 16 15:39:40 GMT 2023 , Edited by admin on Sat Dec 16 15:39:40 GMT 2023
PRIMARY
FDA UNII
P5LYN8CD74
Created by admin on Sat Dec 16 15:39:40 GMT 2023 , Edited by admin on Sat Dec 16 15:39:40 GMT 2023
PRIMARY
INN
11960
Created by admin on Sat Dec 16 15:39:40 GMT 2023 , Edited by admin on Sat Dec 16 15:39:40 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY