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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19Br2N5O2
Molecular Weight 497.184
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BRINDOXIME, (S)-

SMILES

C[C@H](O\N=C1/C2=C(C=NC=N2)C3=C1C(Br)=CC(Br)=C3)C(=O)NCCN(C)C

InChI

InChIKey=KIGNRDGJGXIHCH-RZJRPUMOSA-N
InChI=1S/C18H19Br2N5O2/c1-10(18(26)22-4-5-25(2)3)27-24-17-15-12(6-11(19)7-14(15)20)13-8-21-9-23-16(13)17/h6-10H,4-5H2,1-3H3,(H,22,26)/b24-17-/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19Br2N5O2
Molecular Weight 497.184
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:03 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:03 GMT 2023
Record UNII
B2O4VB711K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRINDOXIME, (S)-
Common Name English
PROPANAMIDE, 2-(((6,8-DIBROMO-9H-INDENO(2,1-D)PYRIMIDIN-9-YLIDENE)AMINO)OXY)-N-(2-(DIMETHYLAMINO)ETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
B2O4VB711K
Created by admin on Sat Dec 16 10:27:03 GMT 2023 , Edited by admin on Sat Dec 16 10:27:03 GMT 2023
PRIMARY
PUBCHEM
76972367
Created by admin on Sat Dec 16 10:27:03 GMT 2023 , Edited by admin on Sat Dec 16 10:27:03 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER